Sugi Predict

Sugi Predict / Compounds / SCHEMBL1458841

SCHEMBL1458841

SCHEMBL1458841

Cc1cccc(C)c1-c1cc2cc(-c3nc(-c4ccccn4)sc3C)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ GFER P55789 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ CBFB Q13951 3/20 0.38
▸ METAP2 P50579 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL1459984 0.93 RAB9A (0.38) KDM4EGFERFFAR1CBFBMETAP2
SCHEMBL1457779 0.90 KMT2A (0.41) KDM4EGFERFFAR1CBFBALDH1A1
SCHEMBL1459780 0.90 KMT2A (0.39) KDM4EGFERCBFBALDH1A1KMT2A
SCHEMBL1459938 0.90 CYP19A1 (0.42) KDM4EGFERFFAR1CBFBMETAP2
SCHEMBL1458700 0.84 MMP13 (0.39) KDM4EGFERCBFBMETAP2METAP1
SCHEMBL1459706 0.84 KDM4E (0.41) KDM4EGFERFFAR1CBFBALDH1A1
SCHEMBL1459734 0.81 CYP19A1 (0.43) KDM4EGFERFFAR1NPC1ALDH1A1
SCHEMBL1459642 0.81 KMT2A (0.40) KDM4EGFERCBFBMETAP2METAP1
SCHEMBL1459916 0.81 RAB9A (0.36) KDM4EGFERALDH1A1KMT2AIDO1
SCHEMBL1459764 0.80 KMT2A (0.40) KDM4EGFERCBFBMETAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
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
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 2238/4885FFAR1 318/4885

“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.