SCHEMBL616603

SCHEMBL616603

COC(=O)c1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
ALDH1A1 P00352 7/20 0.53
HSD17B10 Q99714 4/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 3/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 4/20 0.51
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
PDGFRB P09619 1/20 0.46

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
SCHEMBL267231 0.87 GAA (0.58) GAAALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL8771665 0.83 ALDH1A1 (0.53) GAAALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL2721649 0.82 TSHR (0.55) ALDH1A1CYP3A4TSHRL3MBTL1KMT2A
SCHEMBL18435 0.82 CA12 (0.59) GAAALDH1A1TDP1KMT2ASIRT6
SCHEMBL559830 0.82 VCAM1 (0.64) GAAALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL6960199 0.82 KDM4E (0.55) ALDH1A1CYP3A4TSHRMAPK1L3MBTL1
SCHEMBL30525281 0.82 VCAM1 (0.64) GAAALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL6072302 0.81 PARP1 (0.56) GAAALDH1A1HSD17B10L3MBTL1KMT2A
SCHEMBL539834 0.81 TDP1 (0.47) GAAALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL1335411 0.81 PDGFRB (0.49) GAAALDH1A1HSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026086794-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF THE CHINESE UNIVERSITY OF HONG KONG (CN) 2026-04-30 WO disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20240383865-A1 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS ALCON INC (CH) 2024-11-21 US disclosed
US-11845761-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2023-12-19 US disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230107642-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-04-06 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
CN-1060837-A BENZIMIDAZOLINONE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 1992-05-06 CN disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed
US-4992550-A Thymidylate synthetase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP 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 (6 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-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 GAA 3302/4885ALDH1A1 4598/4885HSD17B10 1803/4885
US-20230107642-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS GAA 2819/4885ALDH1A1 2548/4885HSD17B10 4028/4885
US-11845761-B2 Tricyclic pyridones and pyrimidones KRAS, NRAS, HRAS GAA 2819/4885ALDH1A1 2548/4885HSD17B10 4028/4885
US-20240383865-A1 HIGH-ENERGY-VIOLET-ABSORBING VINYLIC MONOMERS VCL, HBS1L, SAAL1 GAA 4075/4885ALDH1A1 590/4885HSD17B10 2246/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS GAA 2819/4885ALDH1A1 2548/4885HSD17B10 4028/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 GAA 3302/4885ALDH1A1 4598/4885HSD17B10 1803/4885

“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.