SCHEMBL150050

SCHEMBL150050

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.65
ACE P12821 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 3/20 0.62
MAPT P10636 2/20 0.62
APAF1 O14727 1/20 0.62
POLB P06746 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
ITGB2 P05107 3/20 0.61
ICAM1 P05362 3/20 0.61
ITGAL P20701 3/20 0.61

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
SCHEMBL29773000 1.00 ALOX15 (0.65) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL22654181 1.00 ALOX15 (0.65) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL9583736 0.92 KCNT1 (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL900917 0.92 KCNT1 (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL29810269 0.92 KCNT1 (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL8705016 0.92 KCNT1 (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL9115505 0.89 ALOX15 (0.65) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL8710928 0.89 SMN1; SMN2 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL9115508 0.89 ALOX15 (0.65) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL8710933 0.89 SMN1; SMN2 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746079-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS Bayer Aktiengesellschaft (DE) 2020-12-09 EP claimed
WO-2019149637-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-08-08 WO claimed
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US claimed
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US claimed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US claimed
EP-3194378-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-26 EP claimed
WO-2016041925-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 WO claimed
EP-2413711-A1 DIPEPTIDE AS FEEDSTUFF ADDITIVE Evonik Degussa GmbH (DE) 2012-02-08 EP claimed
WO-2011147881-A2 CYCLIC DIPEPTIDES AS FEEDSTUFF ADDITIVES EVONIK DEGUSSA GMBH (DE) 2011-12-01 WO claimed
WO-2010112365-A1 DIPEPTIDE AS FEEDSTUFF ADDITIVE EVONIK DEGUSSA GMBH (DE) 2010-10-07 WO claimed
US-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS TOPO TARGET A/S (DK) 2010-02-04 US claimed
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US disclosed
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 US 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 ALOX15 1747/4885ACE 417/4885SMN1; SMN2 4108/4885
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 ALOX15 2209/4885ACE 815/4885SMN1; SMN2 1782/4885
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BUB1, BUB1B, BUB3 ALOX15 4794/4885ACE 3455/4885SMN1; SMN2 2960/4885
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BUB1, BUB1B, BUB3 ALOX15 4794/4885ACE 3455/4885SMN1; SMN2 2960/4885
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH ALOX15 806/4885ACE 1090/4885SMN1; SMN2 4761/4885
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 ALOX15 4827/4885ACE 3177/4885SMN1; SMN2 3146/4885
US-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS IDO1, IDO2, TDO2 ALOX15 2069/4885ACE 3007/4885SMN1; SMN2 2674/4885
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 ALOX15 4827/4885ACE 3177/4885SMN1; SMN2 3146/4885

“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.