SCHEMBL1288089

SCHEMBL1288089

Cn1ccc2c(CO)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
GPR84 Q9NQS5 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NQO2 P16083 1/20 0.47
RHEB Q15382 1/20 0.44
HTR2A P28223 1/20 0.43
ASH1L Q9NR48 1/20 0.41
CA2 P00918 1/20 0.41
HSD11B1 P28845 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MDM2 Q00987 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL17784718 0.85 HDAC1 (0.44) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL8739002 0.82 MAPT (0.46) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL22746838 0.81 ALDH1A1 (0.44) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL15105484 0.81 KDM4E (0.44) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL112354 0.81 HTR2A (0.47) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL4562221 0.80 TDP1 (0.51) KDM4EALDH1A1HDAC1HDAC2HDAC6
SCHEMBL3368872 0.80 HDAC1 (0.43) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL1254474 0.79 GPR84 (0.47) KDM4EMAPTGPR84ALDH1A1RXFP1
SCHEMBL2259757 0.79 ICMT (0.48) KDM4EMAPTALDH1A1ASH1LCA2
SCHEMBL15564635 0.78 MPO (0.45) HTR2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076713-B1 AMINOMETHYL-1H-INDOLE-4-METHANOL DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-01-08 EP claimed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2022068772-A1 BENZIMIDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-04-07 WO disclosed
WO-2016201219-A1 SMALL MOLECULE INHIBITORS OF DIHYDROFOLATE REDUCTASE CIDARA THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
EP-2624697-B1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-11-25 EP disclosed
US-8664234-B2 Dihydrobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
EP-2624697-A1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-08-14 EP disclosed
US-20130184298-A1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-07-18 US disclosed
WO-2012047702-A1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-04-12 WO disclosed
EP-0076713-B1 AMINOMETHYL-1H-INDOLE-4-METHANOL DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-01-08 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 (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-20130184298-A1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRD1 KDM4E 1282/4885MAPT 607/4885GPR84 57/4885

“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.