SCHEMBL2314837

SCHEMBL2314837

Nc1c(Cl)cc(Cl)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 6/20 0.40
GLA P06280 5/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 5/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
RECQL P46063 1/20 0.39
PRMT1 Q99873 1/20 0.38
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.36
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDK2 Q15119 1/20 0.33

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
SCHEMBL1646519 0.82 ALOX15 (0.37) ALDH1A1GAACYP1A2CYP2C9CYP3A4
SCHEMBL27648653 0.80 CYP2C9 (0.34) CYP1A2CYP2C9CYP3A4PRMT1HPGD
SCHEMBL30812547 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EGAAGLACYP1A2
SCHEMBL29939894 0.78 MCL1 (0.36) GAACYP1A2CYP2C9CYP3A4TSHR
SCHEMBL1570736 0.78 CYP3A4 (0.36) ALDH1A1CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL31180357 0.78 CYP3A4 (0.36) ALDH1A1CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL19776327 0.78 MCL1 (0.36) GAACYP1A2CYP2C9CYP3A4TSHR
SCHEMBL20670684 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL5643242 0.78 ATP4A (0.39) ALDH1A1GAACYP1A2CYP3A4TSHR
SCHEMBL205507 0.77 HTT (0.41) ALDH1A1KDM4EGAAGLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A ALDH1A1 4071/4885KDM4E 3958/4885GAA 707/4885

“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.