SCHEMBL4810685

SCHEMBL4810685

O=C(Cc1ccncc1)N1CCc2cc[c]cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
EIF2AK3 Q9NZJ5 2/20 0.43
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.39
NOTUM Q6P988 1/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL4812759 0.87 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4811501 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4813473 0.85 CYP11B1 (0.54) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4815197 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4803446 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL14156318 0.81 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4809337 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4809914 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4859975 0.79 TSHR (0.47) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL4808688 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTRAB9APOLB

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 ALDH1A1 2580/4885SMN1; SMN2 3725/4885MAPT 4112/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 ALDH1A1 1913/4885SMN1; SMN2 3179/4885MAPT 4785/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ALDH1A1 1335/4885SMN1; SMN2 3761/4885MAPT 4440/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ALDH1A1 2580/4885SMN1; SMN2 3725/4885MAPT 4112/4885

“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.