SCHEMBL3376010

SCHEMBL3376010

Cc1ccc(I)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 6/20 0.38
VNN1 O95497 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
USP2 O75604 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14783007 0.82 TSHR (0.48) TSHRALDH1A1KDM4EUSP2CYP11B2
SCHEMBL769392 0.78 MAOB (0.42) ALDH1A1KDM4EUSP2HPGDMAOA
SCHEMBL21756922 0.77
SCHEMBL30509593 0.76 TSHR (0.52) TSHRALDH1A1ALOX15HSD17B10PKM
SCHEMBL101714 0.76 TSHR (0.52) TSHRALDH1A1ALOX15HSD17B10PKM
SCHEMBL1914246 0.76 GRM4 (0.38) TSHRTTRALB
SCHEMBL1003188 0.74 TSHR (0.50) TSHRALDH1A1CYP11B2ARCYP2A6
SCHEMBL290322 0.73 TSHR (0.48) TSHRALDH1A1NPSR1L3MBTL1MAOA
SCHEMBL3336251 0.73 VCAM1 (0.48) VNN1MAOAMAOB
SCHEMBL22861605 0.73 TRPV4 (0.52) TSHRALDH1A1VNN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230288428-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2023-09-14 US disclosed
US-20230235177-A1 Deep Ultraviolet-Excitable Water-Solvated Polymeric Dyes BECTON, DICKINSON AND COMPANY 2023-07-27 US disclosed
US-11668716-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2023-06-06 US disclosed
US-11643556-B2 Fluorescent conjugated polymers BECTON, DICKINSON AND COMPANY (US) 2023-05-09 US disclosed
US-20210373029-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2021-12-02 US disclosed
US-11119107-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2021-09-14 US disclosed
US-11034840-B2 Water-soluble polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2021-06-15 US disclosed
US-20200200761-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2020-06-25 US disclosed
US-20200181412-A1 Fluorescent Conjugated Polymers BECTON, DICKINSON AND COMPANY 2020-06-11 US disclosed
US-20200062966-A1 Water-Soluble Polymeric Dyes BECTON, DICKINSON AND COMPANY 2020-02-27 US disclosed
US-20180163054-A1 WATER-SOLUBLE POLYMERIC DYES BECTON, DICKINSON AND COMPANY 2018-06-14 US disclosed
US-20180047919-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-15 US disclosed
EP-1595862-B1 PROCESS FOR PRODUCTION OF IODINE COMPOUNDS AND PROCESS FOR PRODUCTION OF HIGH-PURITY 5-IODO-2-METHYLBENZOIC ACID MITSUBISHI GAS CHEMICAL CO (JP) 2010-11-17 EP disclosed
US-7750182-B2 Process for production of iodine compounds and process for production of high-purity 5-iodo-2-methylbenzoic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-07-06 US disclosed
US-20060161028-A1 Process for production of iodine compounds and process for production of high-purity 5-iodo-2-methylbenzoic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-20 US disclosed
EP-1595862-A1 PROCESS FOR PRODUCTION OF IODINE COMPOUNDS AND PROCESS FOR PRODUCTION OF HIGH-PURITY 5-IODO-2-METHYLBENZOIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-11-16 EP disclosed
WO-2005016900-A1 SUCCINATE AND MALONATE SALT OF TRANS-4-(IR,3S)-6-CHLORO-3-PHENYLINDAN-1-YL)-1,2,2-TRIMETHYLPIPERAZINE AND THE USE AS A MEDICAMENT H. LUNDBECK A/S (DK) 2005-02-24 WO disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 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 (1 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-20180047919-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, LAS1L, HBS1L TSHR 4183/4885ALDH1A1 50/4885VNN1 4766/4885

“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.