SCHEMBL10160841

SCHEMBL10160841

CC(C)Cc1ccc(C=N)s1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL10130976 0.80 ALDH1A1 (0.42) ALDH1A1HPGDCYP2E1CYP3A4CYP2A6
SCHEMBL18783165 0.80 ALDH1A1 (0.39) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL21524054 0.78 ALDH1A1 (0.38) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL10024837 0.78 HPGD (0.48) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL14260574 0.77 ALDH1A1 (0.37) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL13514040 0.77
SCHEMBL14380270 0.76 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4GABRA1GABRB2
SCHEMBL10130736 0.76 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4GABRA1GABRB2
SCHEMBL10130758 0.73 ALDH1A1 (0.38) ALDH1A1HPGD
SCHEMBL13026624 0.71 AHR (0.38) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (4 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-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885CYP2E1 44/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885CYP2E1 44/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ALDH1A1 353/4885HPGD 130/4885CYP2E1 56/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 ALDH1A1 2671/4885HPGD 1779/4885CYP2E1 604/4885

“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.