SCHEMBL4749080

SCHEMBL4749080

CS(=O)(=O)c1ccc2nc(NC(=O)NC=O)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
KDM4E B2RXH2 4/20 0.67
RECQL P46063 1/20 0.67
ACP1 P24666 1/20 0.65
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
RXFP1 Q9HBX9 2/20 0.64
HPGD P15428 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.64
TP53 P04637 2/20 0.64
PKM P14618 1/20 0.64
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
ATM Q13315 1/20 0.63
CLK1 P49759 3/20 0.63

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
SCHEMBL15376878 0.83 ALDH1A1 (0.74) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL210763 0.83 ALDH1A1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6463656 0.80 ALDH1A1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4919955 0.80 KDM4E (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7923965 0.79 ACP1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL21568043 0.78 KMT2A (0.79) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27913998 0.78 RAB9A (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6229059 0.78 RAB9A (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3022069 0.78 ALDH1A1 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1786595 0.78 GHSR (0.85) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 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 (3 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-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R NPC1 486/4885RAB9A 1390/4885ALDH1A1 650/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R NPC1 635/4885RAB9A 2527/4885ALDH1A1 918/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R NPC1 2847/4885RAB9A 2138/4885ALDH1A1 2084/4885

“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.