SCHEMBL6178310

SCHEMBL6178310

Nc1ccc(/C=C/c2ccncc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
LMNA P02545 2/20 0.60
NPC1 O15118 2/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NCF1 P14598 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 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
SCHEMBL6178312 1.00 MAPT (0.60) MAPTLMNANPC1GFERALDH1A1
SCHEMBL9971902 0.85 MAOB (0.48) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL9971901 0.81 MAOB (0.44) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL6949589 0.78 MAPT (0.52) MAPTLMNANPC1GFERMEN1
SCHEMBL6949586 0.78 MAPT (0.52) MAPTLMNANPC1GFERMEN1
SCHEMBL28048773 0.76 MAPT (0.60) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL2604937 0.76 MAPT (1.00) MAPTLMNANPC1ALDH1A1HTT
SCHEMBL3163578 0.75 CHAT (0.63) MAPTLMNAALDH1A1HPGDCYP1A1
SCHEMBL3163724 0.75 CHAT (0.63) MAPTLMNAALDH1A1HPGDCYP1A1
SCHEMBL9928814 0.75 MAPT (0.53) MAPTLMNANPC1GFERMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed
EP-1200411-B1 PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2005-12-14 EP disclosed
US-6894173-B2 Intermediates useful for synthesis of heteroaryl-substituted urea compounds, and processes of making same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-6835832-B2 Catalytic hydrogenation BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-28 US disclosed
US-6774233-B2 AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6753426-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-22 US disclosed
US-20030181718-A1 A chemical intermediate carbamate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-25 US disclosed
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
US-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
US-6583282-B1 Formation of a urea by reacting an aromatic carbamate with a aromatic amine BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-24 US disclosed
US-20030109703-A1 Polymorph and process for preparing same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-06-12 US disclosed
EP-1200411-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-02 EP disclosed
WO-2001004115-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-01-18 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 (4 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-20030181718-A1 A chemical intermediate carbamate compounds UGT1A1, ARG1, CPS1 MAPT 2962/4885LMNA 2243/4885NPC1 331/4885
US-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB MAPT 2973/4885LMNA 2515/4885NPC1 1200/4885
US-20030109703-A1 Polymorph and process for preparing same UGT1A1, CYP1A1, CYP1B1 MAPT 1615/4885LMNA 1307/4885NPC1 588/4885
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB MAPT 2973/4885LMNA 2515/4885NPC1 1200/4885

“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.