SCHEMBL16200380

SCHEMBL16200380

CCc1cc(OC)c(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
PGK1 P00558 1/20 0.43
GSK3B P49841 1/20 0.43
MAP4K2 Q12851 1/20 0.43
POLB P06746 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL21233362 0.91 TAAR1 (0.53) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL14107655 0.89 TAAR1 (0.50) TAAR1GAAALDH1A1KDM4EGRIN2D
SCHEMBL14309294 0.87 TAAR1 (0.63) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL27017158 0.83 TAAR1 (0.47) TAAR1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL16200085 0.83 TAAR1 (0.50) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL12467391 0.83 TAAR1 (0.53) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL16200094 0.82 TAAR1 (0.53) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL3759243 0.81 TAAR1 (0.52) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL16068899 0.81 TAAR1 (0.52) TAAR1NPC1GAAALDH1A1KDM4E
SCHEMBL16068898 0.81 TAAR1 (0.52) TAAR1NPC1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE TAAR1 4866/4885NPC1 848/4885GAA 180/4885

“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.