SCHEMBL6985892

SCHEMBL6985892

Cc1nc(-c2cccc(CNc3ccccc3)c2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
MAPT P10636 5/20 0.55
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 2/20 0.55
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL6563104 0.86 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1USP2SMN1; SMN2
SCHEMBL27612413 0.84 L3MBTL1 (0.62) L3MBTL1MAPTALDH1A1USP2SMN1; SMN2
SCHEMBL1075209 0.83 L3MBTL1 (0.66) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6565112 0.82 L3MBTL1 (0.59) L3MBTL1MAPTKMT2ATSHRPOLB
Hydrochloric Acid SCHEMBL31346661 0.81 L3MBTL1 (0.62) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL25488452 0.80 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10066488 0.79 L3MBTL1 (0.72) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6563111 0.78 L3MBTL1 (0.57) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1301049 0.77 L3MBTL1 (0.70) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1300632 0.77 L3MBTL1 (0.70) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia MERCK-PATENT GMBH (DE) 2003-10-02 US disclosed
US-20030171579-A1 Urethane derivatives MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
EP-1309573-A1 URETHANE DERIVATIVES MERCK PATENT GmbH (DE) 2003-05-14 EP disclosed
EP-1309549-A1 ACETAMIDE DERIVATIVES AND THE USE THEREOF AS INHIBITORS OF COAGULATION FACTORS XA AND VIIA MERCK PATENT GmbH (DE) 2003-05-14 EP disclosed
WO-2002010127-A1 ACETAMIDE DERIVATIVES AND THE USE THEREOF AS INHIBITORS OF COAGULATION FACTORS XA AND VIIA MERCK PATENT GMBH (DE) 2002-02-07 WO disclosed
WO-2002010145-A1 URETHANE DERIVATIVES MERCK PATENT GMBH (DE) 2002-02-07 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 (2 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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia F12, F11, PLAT L3MBTL1 2304/4885MAPT 4659/4885ALDH1A1 871/4885
US-20030171579-A1 Urethane derivatives UTS2R, PLAUR, IL1A L3MBTL1 3573/4885MAPT 4210/4885ALDH1A1 479/4885

“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.