SCHEMBL4859348

SCHEMBL4859348

NN1CCc2cc[c]cc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDK4 P11802 1/20 0.31
ALOX15 P16050 1/20 0.31
CCND1 P24385 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1450385 0.76 ALDH1A1 (0.34) MEN1USP2ALDH1A1CDK4ALOX15
SCHEMBL4807338 0.73 POLB (0.43) MEN1KMT2A
SCHEMBL6251395 0.72
SCHEMBL4804140 0.71 MAPT (0.43) MEN1ALDH1A1KMT2A
SCHEMBL16719802 0.71 DDB1 (0.39) MEN1USP2ALDH1A1CDK4ALOX15
SCHEMBL112247 0.70 MEN1 (0.54) MEN1USP2ALDH1A1CDK4ALOX15
SCHEMBL4802212 0.70 TSHR (0.46) MEN1ALDH1A1KMT2A
SCHEMBL2224344 0.69 NOTUM (0.60) ALDH1A1KMT2A
SCHEMBL1450611 0.69 ALDH1A1 (0.44) MEN1USP2ALDH1A1CDK4ALOX15
SCHEMBL1450294 0.69 ALDH1A1 (0.42) MEN1ALDH1A1KMT2A

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
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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 (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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 MEN1 2767/4885USP2 1399/4885ALDH1A1 2580/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 MEN1 2414/4885USP2 766/4885ALDH1A1 1913/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 MEN1 2794/4885USP2 2006/4885ALDH1A1 1335/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 MEN1 2767/4885USP2 1399/4885ALDH1A1 2580/4885

“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.