SCHEMBL17670461

SCHEMBL17670461

NCc1cc(C(=O)O)cc(CN)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HIF1A Q16665 1/20 0.48
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TPMT P51580 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
CA3 P07451 1/20 0.39
MAPT P10636 1/20 0.39
SELL P14151 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28174158 0.86 TPMT (0.42) TSHRALOX15HIF1AMAOAMAOB
SCHEMBL16369830 0.79 TSHR (0.50) TSHRALOX15HIF1ACA12CA1
SCHEMBL16369792 0.77 TSHR (0.48) TSHRALOX15HIF1ACA12CA1
SCHEMBL1424790 0.77 ALOX15 (0.48) TSHRALOX15HIF1ACA12CA1
Hydrochloric Acid SCHEMBL1425679 0.76 ALOX15 (0.46) TSHRALOX15HIF1ACA12CA1
SCHEMBL13350408 0.75 KDM4E (0.53) TSHRALOX15CA12CA1CA2
SCHEMBL12252467 0.75 GABRP (0.58) MAOAMAOBKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL1244313 0.74 GABRP (0.56) MAOAMAOBKDM4EALDH1A1MAPT
SCHEMBL1424911 0.72 ALOX15 (0.43) TSHRALOX15HIF1ACA12CA1
Ethylenediamine SCHEMBL9614895 0.72 PLAU (0.55) TSHRALOX15HIF1ACA12CA1

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 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 (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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 TSHR 3710/4885ALOX15 4414/4885HIF1A 358/4885

“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.