SCHEMBL1534438

SCHEMBL1534438

O=C(Nc1ccc(Cl)cc1)C1CCNC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FPR1 P21462 2/20 0.51
FPR2 P25090 2/20 0.51
JAK3 P52333 1/20 0.50

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
SCHEMBL2451482 0.91 ULK1 (0.56) NPC1RAB9A
SCHEMBL18395563 0.90 KMT2A (0.58) NPC1RAB9AKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4714884 0.89 KMT2A (0.56) NPC1RAB9AKMT2AL3MBTL1
SCHEMBL18094875 0.87 ROCK2 (0.47) KMT2AJAK3
SCHEMBL23390119 0.84 ULK1 (0.49) KMT2AFPR2JAK3
SCHEMBL6037575 0.84 ALDH1A1 (0.52) KMT2A
SCHEMBL6037572 0.84 ULK1 (0.49) KMT2AJAK3
SCHEMBL23390541 0.84 FPR3 (0.53) RAB9AKMT2AFPR1FPR2
SCHEMBL2146675 0.84 KMT2A (0.56) NPC1RAB9AKMT2A
SCHEMBL2146682 0.84 KMT2A (0.56) NPC1RAB9AKMT2A

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-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 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 (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-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION RHOA, RHOC, ROCK1 NPC1 1600/4885RAB9A 534/4885KMT2A 1780/4885

“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.