SCHEMBL6095853

SCHEMBL6095853

CC(C)Sc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DDAH1 O94760 1/20 0.50
NOS1 P29475 1/20 0.50
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
XDH P47989 1/20 0.35
CHRM5 P08912 1/20 0.35
CHKA P35790 1/20 0.35
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
Hydrochloric Acid SCHEMBL6097232 0.97 MEN1 (0.48) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL7349592 0.80 MEN1 (0.46) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL7349599 0.80 MEN1 (0.46) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL7242681 0.77 MEN1 (0.42) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL10402878 0.75 MEN1 (0.41) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL10403862 0.75 MEN1 (0.41) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL10402880 0.75 MEN1 (0.41) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL10403863 0.75 MEN1 (0.41) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL9018817 0.74 MEN1 (0.50) MEN1KMT2ADDAH1NOS1LMNA
SCHEMBL8588330 0.72 AR (0.38) MEN1KMT2ALMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220192954-A1 DELIVERY OF SURFACTANT SOLUBLE ANTI-DANDRUFF AGENT PROCTER & GAMBLE (US) 2022-06-23 US disclosed
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-20140309413-A1 METHODS OF STEREOSELECTIVE SYNTHESIS OF SUBSTITUTED NUCLEOSIDE ANALOGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-16 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 US disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4474954-A Intermediates for cephalosporin derivatives BRISTOL-MYERS COMPANY (US) 1984-10-02 US disclosed
US-4394503-A BACTERICIDWS BRISTOL-MYERS COMPANY (US) 1983-07-19 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 MEN1 2160/4885KMT2A 861/4885DDAH1 2501/4885
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A MEN1 4149/4885KMT2A 2168/4885DDAH1 1752/4885
US-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885DDAH1 1418/4885
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 MEN1 3505/4885KMT2A 1308/4885DDAH1 480/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885DDAH1 1418/4885
US-20220192954-A1 DELIVERY OF SURFACTANT SOLUBLE ANTI-DANDRUFF AGENT SMURF1, SMURF2, POLR1C MEN1 3958/4885KMT2A 4647/4885DDAH1 1362/4885
US-20140309413-A1 METHODS OF STEREOSELECTIVE SYNTHESIS OF SUBSTITUTED NUCLEOSIDE ANALOGS NUDT1, PAPSS1, NT5C3B MEN1 1652/4885KMT2A 3276/4885DDAH1 852/4885
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, NRDC, NUCB2 MEN1 507/4885KMT2A 2284/4885DDAH1 171/4885

“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.