SCHEMBL1163039

SCHEMBL1163039

N=C(c1ccc(-c2noc(CNC(=O)C3=CCC(Cl)S3)n2)cc1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
TP53 P04637 4/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC4 P56524 1/20 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
SCHEMBL13887124 0.99 MAPT (0.44) MAPTTP53TSHRLMNAHPGD
SCHEMBL1159614 0.86 NPC1 (0.40) MAPTTP53TSHRHPGDALDH1A1
SCHEMBL13886960 0.85 RAB9A (0.39) MAPTTP53TSHRHPGDALDH1A1
SCHEMBL13886881 0.81 HPGD (0.34) TSHRLMNAHPGDKMT2APOLB
SCHEMBL13886962 0.81 RHOC (0.41) MAPTTP53LMNAHPGD
SCHEMBL1097493 0.81 MAPT (0.48) MAPTTP53TSHRLMNAHPGD
SCHEMBL1097223 0.80 MAPT (0.48) MAPTTP53TSHRLMNAHPGD
SCHEMBL13887123 0.80 MAPT (0.43) MAPTTP53TSHRLMNATHRB
SCHEMBL13887120 0.80 RAB9A (0.39) MAPTLMNAHPGDALDH1A1MAPK1
SCHEMBL14706642 0.78 LMNA (0.43) MAPTTP53TSHRLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 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 (1 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPT 3722/4885TP53 3707/4885TSHR 2852/4885

“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.