SCHEMBL9612019

SCHEMBL9612019

CO/C=C/C(C)(C)C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALOX15 P16050 2/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 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
SCHEMBL9911390 0.88 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL861154 0.88 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL861077 0.87 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL13064283 0.87 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL9612028 0.86 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL9911388 0.85 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL861071 0.84 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL9911392 0.83 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL861029 0.83 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A
SCHEMBL861141 0.82 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2GAAAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (2 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885LMNA 794/4885SMN1; SMN2 1281/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E ALDH1A1 411/4885LMNA 2438/4885SMN1; SMN2 1896/4885

“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.