Sugi Predict

Sugi Predict / Compounds / SCHEMBL448453

SCHEMBL448453

SCHEMBL448453

CN(C)[PH](On1nnc2ccccc21)(N(C)C)N(C)C.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SIRT2 Q8IXJ6 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 2/20 0.39

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
Lindane SCHEMBL4353953 0.94 SIRT2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
Phosphoric Acid SCHEMBL19406123 0.93 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL58561 0.89 TSHR (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
Fluoride SCHEMBL6346 0.87 TSHR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL936121 0.86 TSHR (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1720269 0.86 SMN1; SMN2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
Fluoride SCHEMBL29274482 0.85 TSHR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL751644 0.77 CYP2C9 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7207252 0.77 NPSR1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5334264 0.76 SIRT2 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148699-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-05-09 — — US disclosed
US-20240116864-A1 XANTHOPHYLL DERIVATIVES ALMARSSON ORN (US) 2024-04-11 — — US disclosed
US-20240108733-A1 PRODRUGS OF PHARMACEUTICAL AGENTS ALMARSSON ORN (US) 2024-04-04 — — US disclosed
EP-4267138-A1 PRODRUGS OF PHARMACEUTICAL AGENTS Axelyf ehf. (IS) 2023-11-01 — — EP disclosed
EP-4267118-A1 XANTHOPHYLL DERIVATIVES Axelyf ehf. (IS) 2023-11-01 — — EP disclosed
WO-2022140705-A1 PRODRUGS OF PHARMACEUTICAL AGENTS ALMARSSON ORN (US) 2022-06-30 — — WO disclosed
WO-2022140580-A1 XANTHOPHYLL DERIVATIVES ALMARSSON ORN (US) 2022-06-30 — — WO disclosed
EP-4003524-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS Bayer Animal Health GmbH (DE) 2022-06-01 — — EP disclosed
US-11229637-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2022-01-25 — — US disclosed
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2021-03-04 — — US disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 — — WO disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 — — WO disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
WO-1998022487-A1 COMBINATORIAL SYNTHESIS OF CARBOHYDRATE LIBRARIES SYNSORB BIOTECH, INC. (CA) 1998-05-28 — — WO disclosed
WO-1998021220-A2 SACCHARIDE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 — — WO disclosed
WO-1998021221-A2 1-THIOGALACTOSE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 — — WO disclosed
WO-1998021222-A2 1-GALACTOSE DERIVATIVES SYNSORB BIOTECH, INC. (CA) 1998-05-22 — — WO disclosed
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 — — US disclosed
US-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 — — US disclosed
US-5149812-A Industrial process for the preparation of (1S)-1-[N-(4-O-deacetyl-23-vinblastinoyl)amino]-2-methylpropyl diethyl phosphonate and its salts ADIR ET COMPAGNIE (FR) 1992-09-22 — — US 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 (5 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-11229637-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 HDAC3 2216/4885HDAC4 3554/4885HDAC1 3034/4885
US-20240148699-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION PDE3B, PDE4A, PDE3A HDAC3 730/4885HDAC4 229/4885HDAC1 171/4885
US-20240108733-A1 PRODRUGS OF PHARMACEUTICAL AGENTS PAICS, UGT1A6, ENTPD5 HDAC3 606/4885HDAC4 1169/4885HDAC1 1168/4885
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN2, HIF1A HDAC3 2635/4885HDAC4 3642/4885HDAC1 3657/4885
US-20240116864-A1 XANTHOPHYLL DERIVATIVES XDH, FDFT1, FDPS HDAC3 1356/4885HDAC4 2301/4885HDAC1 3352/4885

“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.