SCHEMBL613749

SCHEMBL613749

O=Cc1c(C(F)(F)F)ccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.39
KDR P35968 1/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDK1 Q15118 1/20 0.32
IDO1 P14902 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CLCN2 P51788 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL30480764 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL16974765 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL6723976 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL7927635 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL14691116 0.82 HTR2A (0.32) KIF11KDRHTR2AHTR2CHTR2B
SCHEMBL2457908 0.80 KIF11 (0.44) KIF11CYP2D6CYP2C9
SCHEMBL658325 0.79 KMT2A (0.38) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL8404988 0.79 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL14690948 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TDP1
SCHEMBL9344684 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TDP1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 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-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
EP-0847977-B1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2001-08-29 EP disclosed
US-6054624-A USEFUL AS THE STARTING MATERIALS FOR PRODUCING PESTICIDES, DRUGS AND THE LIKE NIPPON SODA CO., LTD. (JP) 2000-04-25 US disclosed
US-6054605-A CHEMICAL INTERMEDIATE FOR DRUGS, PESTICIDES NIPPON SODA CO., LTD. (JP) 2000-04-25 US disclosed
US-5977414-A 2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof NIPPON SODA CO., LTD. (JP) 1999-11-02 US disclosed
EP-0881207-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NIPPON SODA CO., LTD. (JP) 1998-12-02 EP disclosed
EP-0847977-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1998-06-17 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 (7 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ALDH1A1 2258/4885KMT2A 3291/4885MEN1 1702/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885KMT2A 1111/4885MEN1 376/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885KMT2A 4041/4885MEN1 650/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885KMT2A 4041/4885MEN1 650/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885KMT2A 1111/4885MEN1 376/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 ALDH1A1 1754/4885KMT2A 1166/4885MEN1 1107/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885KMT2A 1111/4885MEN1 376/4885

“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.