SCHEMBL16870274

SCHEMBL16870274

C=C/C(=C(\C=C/C)c1ccsc1C(=O)OC)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37

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
SCHEMBL14223408 0.71 KMT2A (0.68) RAB9ASMN1; SMN2POLBNPC1NPSR1
SCHEMBL14416834 0.68 MAPT (0.57) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL1349424 0.68 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL608814 0.68 ABL1 (0.68) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL4159892 0.68 MAPT (0.45) RAB9ASMN1; SMN2POLBNPC1NPSR1
SCHEMBL70575 0.66 KMT2A (0.56) SMN1; SMN2POLBNPC1NPSR1MAPT
SCHEMBL25304281 0.65 KMT2A (0.51) SMN1; SMN2POLBNPC1NPSR1MAPT
SCHEMBL4731813 0.65 CYP3A4 (0.45) RAB9ASMN1; SMN2POLBNPC1NPSR1
SCHEMBL159806 0.65 KMT2A (0.56) RAB9ASMN1; SMN2POLBNPC1NPSR1
SCHEMBL28412622 0.64 KMT2A (0.50) SMN1; SMN2POLBNPC1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 — — 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-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 RAB9A 3932/4885SMN1; SMN2 4863/4885POLB 41/4885

“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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