SCHEMBL3449198

SCHEMBL3449198

Nc1ccn([C@@]2(I)C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.46
PDE4D Q08499 1/20 0.46
SLC29A1 Q99808 1/20 0.46
LMNA P02545 5/20 0.46
MTOR P42345 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPT P10636 3/20 0.40
CACNA1F O60840 2/20 0.40
ALB P02768 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DNMT1 P26358 2/20 0.35
ADRB1 P08588 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3424602 0.84 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL1939478 0.84 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL28379714 0.84 PDE3A (0.47) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL3038818 0.83 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL992472 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL51650 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL4971926 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL27544566 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL7794942 0.83 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL2118776 0.82 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503866-B1 COMPOSITIONS COMPRISING ISOHEXIDE DIESTERS OF C18 FATTY ACIDS AND THEIR USE IN METHODS FOR RESTORING EPIDERMAL INTEGRITY AND FUNCTION AND TREATING DERMATOLOGICAL DISEASES SYTHEON LTD (US) 2025-12-03 EP disclosed
US-20240398760-A1 CHELATED, STABLE OPHTHALMOLOGICAL COMPOSITIONS OF KETOROLAC AND PHENYLEPHRINE AND APPLICATIONS THEREOF SOMERSET THERAPEUTICS, LLC 2024-12-05 US disclosed
US-12102632-B2 Quinolone dispersions SOMERSET THERAPEUTICS, LLC (US) 2024-10-01 US disclosed
US-12029729-B2 Chelated, stable ophthalmological compositions of ketorolac and phenylephrine and applications thereof SOMERSET THERAPEUTICS, LLC (US) 2024-07-09 US disclosed
US-12016855-B2 Prednisolone and moxifloxacin compositions and methods SOMERSET THERAPEUTICS, LLC (US) 2024-06-25 US disclosed
US-12012416-B2 Compositions and methods for treating atopic dermatitis SYTHEON LTD (US) 2024-06-18 US disclosed
US-11883382-B2 Buffer-free ophthalmological compositions of ketorolac and phenylephrine and applications thereof SOMERSET THERAPEUTICS, LLC (US) 2024-01-30 US disclosed
US-11850249-B2 Methods of efficiently reducing intraocular pressure SOMERSET THERAPEUTICS, LLC (US) 2023-12-26 US disclosed
US-11793789-B2 Treatment of ophthalmological conditions using buffer-free ophthalmological compositions of ketorolac and phenylephrine SOMERSET THERAPEUTICS, LLC (US) 2023-10-24 US disclosed
US-11753414-B2 Compositions and methods for treating atopic dermatitis SYTHEON LTD (US) 2023-09-12 US disclosed
US-4609548-A NON-PRODUCERS OF THYMIDINE KINASE; VETERINARY MEDICINE NOVAGENE, LTD. (US) 1986-09-02 US disclosed
US-4603112-A Modified vaccinia virus HEALTH RESEARCH, INCORPORATED (US) 1986-07-29 US disclosed
US-4579821-A FUSION OF DNA PROMOTHER/REGULATOR WITH GENES UNIVERSITY PATENTS, INC. (US) 1986-04-01 US disclosed
EP-0094428-A4 CONTROL OF DNA SEQUENCE TRANSCRIPTION. UNIVERSITY PATENTS INC (US) 1986-01-07 EP disclosed
EP-0149040-A2 Modified live pseudorabies viruses, vaccines for pseudorabies disease containing same, methods for production of same and methods for use of same NOVAGENE, INC. (US) 1985-07-24 EP disclosed
US-4514497-A DO NOT PRODUCE THYMIDINE KINASE- TEMPERATURE RESISTANCE NOVAGENE, LTD. (US) 1985-04-30 US disclosed
US-4465769-A Non-transformed thymidine kinaseless cell line and its use for testing tumorigenic potential of genes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-08-14 US disclosed
EP-0094428-A1 CONTROL OF DNA SEQUENCE TRANSCRIPTION. UNIVERSITY PATENTS INC (US) 1983-11-23 EP disclosed
EP-0083286-A2 Modified vaccinia virus and methods for making and using the same HEALTH RESEARCH, INCORPORATED (US) 1983-07-06 EP disclosed
WO-1983001783-A1 CONTROL OF DNA SEQUENCE TRANSCRIPTION UNIVERSITY PATENTS INC (US) 1983-05-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12102632-B2 Quinolone dispersions F12, CFD, NFKBIA PDE3A 374/4885PDE4D 727/4885SLC29A1 1709/4885
US-12029729-B2 Chelated, stable ophthalmological compositions of ketorolac and phenylephrine and applications thereof CRYZ, UACA, MYOC PDE3A 27/4885PDE4D 425/4885SLC29A1 1675/4885
US-11793789-B2 Treatment of ophthalmological conditions using buffer-free ophthalmological compositions of ketorolac and phenylephrine CRYZ, MYOC, KIF23 PDE3A 19/4885PDE4D 314/4885SLC29A1 2530/4885
US-20240398760-A1 CHELATED, STABLE OPHTHALMOLOGICAL COMPOSITIONS OF KETOROLAC AND PHENYLEPHRINE AND APPLICATIONS THEREOF CRYZ, UACA, MYOC PDE3A 27/4885PDE4D 425/4885SLC29A1 1675/4885
US-12012416-B2 Compositions and methods for treating atopic dermatitis EBP, TSLP, COL14A1 PDE3A 1142/4885PDE4D 1176/4885SLC29A1 3525/4885
US-11850249-B2 Methods of efficiently reducing intraocular pressure ADRB2, CA2, ADRA2A PDE3A 19/4885PDE4D 57/4885SLC29A1 1408/4885
US-11883382-B2 Buffer-free ophthalmological compositions of ketorolac and phenylephrine and applications thereof CRYZ, MYOC, PDE6C PDE3A 6/4885PDE4D 136/4885SLC29A1 2181/4885
US-12016855-B2 Prednisolone and moxifloxacin compositions and methods SERPINA6, PF4, F12 PDE3A 580/4885PDE4D 728/4885SLC29A1 2774/4885
US-11753414-B2 Compositions and methods for treating atopic dermatitis DHCR7, CYP46A1, NR1H3 PDE3A 1462/4885PDE4D 1249/4885SLC29A1 3538/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.