SCHEMBL11577752

SCHEMBL11577752

Cc1nn(-c2ccccc2)c(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 1.00
NPC1 O15118 9/20 1.00
RAB9A P51151 9/20 1.00
HPGD P15428 7/20 0.75
POLB P06746 2/20 0.75
MAPT P10636 8/20 0.73
TP53 P04637 4/20 0.73
ALDH1A1 P00352 4/20 0.69
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69
RELA Q04206 3/20 0.69
LMNA P02545 4/20 0.57
MAPK1 P28482 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GLA P06280 1/20 0.57
CASP3 P42574 1/20 0.57
CCR6 P51684 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL1719961 0.89 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL31500060 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL10542264 0.81 NPC1 (0.69) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL8765128 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL2461662 0.79 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL34059 0.79 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL4748541 0.79 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL3683981 0.79 RAB9A (0.65) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL11648402 0.79 NPC1 (0.65) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL14132909 0.79 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 US disclosed
US-4113731-A PHOTOGRAPHIC EMULSION STABILIZERS GRUPPO LEPETIT S.P.A. (IT) 1978-09-12 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS SMN1; SMN2 1031/4885NPC1 2089/4885RAB9A 596/4885

“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.