SCHEMBL10215554

SCHEMBL10215554

C=Cc1cc(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(-c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CPT1A P50416 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL10216317 0.88 RAB9A (0.52) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10215374 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10215373 0.87 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10216323 0.81 LMNA (0.48) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10215346 0.80 RAB9A (0.48) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL720994 0.80 LMNA (0.47) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10215639 0.80 LMNA (0.47) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10216328 0.79 LMNA (0.46) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10215326 0.78 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL10215309 0.78 RAB9A (0.43) RAB9ANPC1SMN1; SMN2LMNAMAPK1

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 50/4885SMN1; SMN2 4681/4885

“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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