SCHEMBL2045109

SCHEMBL2045109

NCc1c(O)ccc2[nH]cc(C(=O)O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ DNMT1 P26358 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PRKAB2 O43741 6/20 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
SCHEMBL2045552 0.80 GABRA1 (0.47) HSD17B10MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2461799 0.79 KDM4E (0.60) HSD17B10KDM4EGAAMEN1ALDH1A1
SCHEMBL6838151 0.78 CYP1A2 (0.49) HSD17B10CYP1A2F7F3KDM4E
SCHEMBL4796014 0.75 PRKAB2 (0.40) F7F3KDM4EPRKAB2PRKAG1
SCHEMBL2003960 0.71 GAA (0.58) HSD17B10CYP1A2F7F3KDM4E
SCHEMBL17429810 0.70 CYP1A2 (0.41) HSD17B10CYP1A2F7F3KDM4E
Hydrochloric Acid SCHEMBL5008105 0.69 KDM4E (0.48) HSD17B10KDM4EGAAMEN1ALDH1A1
SCHEMBL16597465 0.67 GPR84 (0.51) HSD17B10CYP1A2F7F3KDM4E
SCHEMBL6451616 0.67 HSD17B10 (0.47) HSD17B10CYP1A2F7F3KDM4E
SCHEMBL28360290 0.65 CYP1A2 (0.50) HSD17B10CYP1A2KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160197-A1 Substituted Indoles and a Method for the Production and Use Thereof ALLA CHEM, LLC 2011-06-30 — — US claimed
EP-2036889-A2 SUBSTITUTED INDOLES AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-03-18 — — EP claimed
US-8329689-B2 Substituted indoles and a method for the production and use thereof Ivachtchenko, Alexandre Vasilievich (US) 2012-12-11 — — US disclosed
US-20110160197-A1 Substituted Indoles and a Method for the Production and Use Thereof ALLA CHEM, LLC 2011-06-30 — — US disclosed
EP-2036889-A2 SUBSTITUTED INDOLES AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-03-18 — — EP 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-20110160197-A1 Substituted Indoles and a Method for the Production and Use Thereof IDO1, HCCS, CHRM1 HSD17B10 361/4885CYP1A2 34/4885F7 2767/4885

“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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