SCHEMBL12744955

SCHEMBL12744955

Cc1sc(-c2ccccn2)nc1-c1ccc(NN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 4/20 0.46
APOBEC3G Q9HC16 1/20 0.46
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
CYP1A1 P04798 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1B1 Q16678 4/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL1460091 0.87 KDM4E (0.48) KDM4EGFERALDH1A1APOBEC3GGAA
SCHEMBL1459656 0.85 KDM4E (0.51) KDM4EGFERALDH1A1APOBEC3GGAA
SCHEMBL1459521 0.77 KDM4E (0.49) KDM4EGFERALDH1A1APOBEC3GGAA
SCHEMBL2315832 0.77 KMT2A (0.57) KDM4EGFERALDH1A1APOBEC3GGAA
SCHEMBL11889107 0.76 MAPT (0.48) KDM4EGFERALDH1A1GAANPC1
SCHEMBL1461206 0.76 APP (0.48) KDM4EGFERALDH1A1APOBEC3GGAA
Hydrochloric Acid SCHEMBL1460753 0.75 MAPT (0.47) KDM4EGFERALDH1A1GAANPC1
SCHEMBL1462614 0.75 MAOA (0.47) KDM4EGFERALDH1A1APOBEC3GGAA
SCHEMBL1459867 0.73 KDM4E (0.40) KDM4EGFERALDH1A1APOBEC3GGAA
SCHEMBL12203630 0.72 KDM4E (0.62) KDM4EALDH1A1GAANPC1RAB9A

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
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E KDM4E 2583/4885GFER 2238/4885ALDH1A1 1801/4885

“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.