SCHEMBL13659632

SCHEMBL13659632

CC(C)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
ALDH1A1 P00352 7/20 0.72
HPGD P15428 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
USP2 O75604 1/20 0.72
APOBEC3G Q9HC16 2/20 0.66
HK1 P19367 1/20 0.66
HKDC1 Q2TB90 1/20 0.66
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.48
MCL1 Q07820 2/20 0.45
BCL2L1 Q07817 1/20 0.45
RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL12553307 0.85 MAPT (0.69) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL1448047 0.83 ALDH1A1 (0.67) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL2897835 0.83 MAPT (0.67) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL11148066 0.82 MAPT (0.65) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL5038192 0.82 MAPT (0.65) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL13659630 0.79 MCL1 (0.70) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13659611 0.78 BCKDK (0.68) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL13659633 0.76 MCL1 (0.47) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL13659636 0.75 GPR35 (0.51) MAPTALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL8878527 0.75 MAPT (0.56) MAPTALDH1A1HPGDSMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 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-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY TOP2A, TOP1, TOP2B MAPT 496/4885ALDH1A1 2608/4885HPGD 2224/4885

“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.