SCHEMBL3116291

SCHEMBL3116291

COC(=O)c1c(F)cccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
ABL1 P00519 1/20 0.50
SRC P12931 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
KRAS P01116 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RORC P51449 1/20 0.45

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
Methyl 2,6-Dimethoxybenzoate SCHEMBL2095636 0.86 CA12 (0.65) KMT2ACA12CA9CA1CA2
SCHEMBL1070351 0.86 CA12 (0.61) KMT2ACA12CA9CA1CA2
SCHEMBL27877492 0.85 CA12 (0.59) KMT2ACA12CA9CA1CA2
SCHEMBL184045 0.83 CA12 (0.74) KMT2ACA12CA9CA1CA2
SCHEMBL30822596 0.83 CA12 (0.74) KMT2ACA12CA9CA1CA2
SCHEMBL1957640 0.83 CA9 (0.57) KMT2ACA12CA9CA1CA2
SCHEMBL30313283 0.83 CA9 (0.57) KMT2ACA12CA9CA1CA2
SCHEMBL23442235 0.83 CA12 (0.46) KMT2ACA12CA9CA1CA2
SCHEMBL20239604 0.83 LMNA (0.46) KMT2ACA12CA9CA1CA2
SCHEMBL3372832 0.83 POLB (0.53) KMT2ACA12CA9CA1CA2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561738-A Synthesis method of 3-indolone 南京工业大学 2024-08-30 CN disclosed
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-04-25 US disclosed
US-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2023-01-19 US disclosed
WO-2021104461-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR 南京明德新药研发有限公司 2021-06-03 WO disclosed
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 US disclosed
EP-2143724-B1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
CN-101663302-B Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2013-07-24 CN disclosed
US-8217069-B2 Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-10 US disclosed
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD (JP) 2010-05-06 US disclosed
CN-101663302-A Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes KISSEI PHARMACEUTICAL 2010-03-03 CN disclosed
EP-2143724-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2010-01-13 EP disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 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 (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-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR CHEK1, CHEK2, DDB1 KMT2A 1197/4885CA12 4776/4885CA9 4464/4885
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor CHEK1, CHEK2, DDB1 KMT2A 1197/4885CA12 4776/4885CA9 4464/4885
US-20100112090-A1 NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES NR5A1, SHBG, GNRHR KMT2A 2609/4885CA12 1132/4885CA9 855/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 KMT2A 4012/4885CA12 3634/4885CA9 3518/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 KMT2A 4012/4885CA12 3634/4885CA9 3518/4885

“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.