SCHEMBL13392950

SCHEMBL13392950

CCc1c(C)nc2sc(NC(=O)C3CCCC3)c(C#N)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ HPGD P15428 7/20 0.57
▸ MAPT P10636 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GAA P10253 2/20 0.42
▸ HSD17B10 Q99714 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL13392955 0.81 APOBEC3G (0.51) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL13392948 0.81 POLB (0.43) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL13393640 0.80 MAPT (0.38) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL3172819 0.78 ALDH1A1 (0.39) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL3172504 0.73 MAPT (0.43) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL3166637 0.73 MAPT (0.44) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL2644504 0.72 ALDH1A1 (0.97) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL3174614 0.69 CDC7 (0.48) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL13393641 0.68 MAPT (0.40) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL13392958 0.68 HPGD (0.41) ALDH1A1HPGDMAPTSMN1; SMN2NPC1

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-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 — — US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 — — US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 — — 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 539/4885HPGD 1023/4885MAPT 4291/4885

“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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