SCHEMBL10215309

SCHEMBL10215309

O=C(NCc1cccs1)c1cc(O)c2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CPT1A P50416 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ MAOB P27338 1/20 0.39

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
SCHEMBL10215326 0.91 RAB9A (0.42) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL10215331 0.90 NPC1 (0.43) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL10215288 0.90 RAB9A (0.42) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL10216317 0.89 RAB9A (0.52) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL10215329 0.88 HSD17B10 (0.47) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL10216326 0.86 LMNA (0.40) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL10215325 0.85 SCD (0.40) HIF1AMAOB
SCHEMBL10216316 0.84 ROCK2 (0.44) RAB9ANPC1KDM4ESMN1; SMN2LMNA
SCHEMBL13788157 0.80 EGLN1 (0.46) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL10215373 0.79 RAB9A (0.51) RAB9ANPC1KDM4ESMN1; SMN2LMNA

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 RAB9A 2221/4885NPC1 50/4885KDM4E 4201/4885

“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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