SCHEMBL10215332

SCHEMBL10215332

O=C(c1cc(O)c2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SCD5 Q86SK9 2/20 0.38
▸ SCD O00767 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL12068644 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1SCD5
SCHEMBL10215308 0.79 ERN1 (0.47) ERN1
SCHEMBL10215333 0.77 SCD5 (0.37) SCD5SCDNAMPTERN1EGLN1
SCHEMBL10215334 0.76 SCD5 (0.47) SCD5EGLN1
SCHEMBL3686611 0.74 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTL3MBTL1SCD5
SCHEMBL29125258 0.72 QDPR (0.38) ALDH1A1SMN1; SMN2MAPTL3MBTL1MMP2
SCHEMBL10215355 0.71 LDHA (0.45) L3MBTL1KDM4EKMT2A
SCHEMBL3690381 0.69 NAMPT (0.35) ALDH1A1SMN1; SMN2MAPTL3MBTL1SCD5
SCHEMBL10215309 0.68 RAB9A (0.43) ALDH1A1SMN1; SMN2USP2LMNAKDM4E
SCHEMBL3690179 0.68 SCD (0.39) ALDH1A1SMN1; SMN2MAPTL3MBTL1SCD5

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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 — — US disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 — — US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 — — 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 ALDH1A1 2132/4885SMN1; SMN2 4681/4885MAPT 4071/4885

“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.

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