SCHEMBL171862

SCHEMBL171862

Cc1coc2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP19A1 P11511 2/20 0.42
CYP17A1 P05093 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAOB P27338 3/20 0.40
PTPN1 P18031 1/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.36
GSK3B P49841 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL31231895 0.83 PTPN1 (0.50) ALDH1A1KDM4EMAOBPTPN1HSD17B10
SCHEMBL718267 0.83 PTPN1 (0.50) ALDH1A1KDM4EMAOBPTPN1HSD17B10
SCHEMBL5986723 0.78 MAPT (0.51) ALDH1A1KDM4EMAOBHSD17B10HPGD
SCHEMBL23330372 0.75 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL2091449 0.75 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL1530853 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EMAOBPTPN1HSD17B10
SCHEMBL2092632 0.75 KCNA3 (0.44) ALDH1A1KDM4EPTPN1GAASMN1; SMN2
SCHEMBL1400551 0.75 KDM4E (0.57) CYP19A1ALDH1A1KDM4EMAOBHSD17B10
SCHEMBL2094158 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL13915050 0.75 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 US disclosed
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 US disclosed
WO-2021191384-A1 ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2019-08-22 US 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-3309163-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE Industries, Ltd. (JP) 2018-04-18 EP disclosed
WO-2016204153-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE 宇部興産株式会社 2016-12-22 WO disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (8 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-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 CYP11B1 10/4885CYP11B2 2/4885CYP19A1 2581/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP11B1 514/4885CYP11B2 373/4885CYP19A1 3120/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CYP11B1 1131/4885CYP11B2 662/4885CYP19A1 3013/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 CYP11B1 10/4885CYP11B2 2/4885CYP19A1 2581/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CYP11B1 1036/4885CYP11B2 703/4885CYP19A1 2547/4885
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPAR1, LPL CYP11B1 420/4885CYP11B2 640/4885CYP19A1 177/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 CYP11B1 10/4885CYP11B2 2/4885CYP19A1 2581/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 CYP11B1 10/4885CYP11B2 2/4885CYP19A1 2581/4885

“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.