SCHEMBL4490949

SCHEMBL4490949

OCC(Cc1cccc(OCc2ccccc2Cl)c1)Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ GCK P35557 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAOB P27338 1/20 0.36
▸ SPHK2 Q9NRA0 2/20 0.35
▸ SPHK1 Q9NYA1 2/20 0.35
▸ GPR132 Q9UNW8 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ EGLN1 Q9GZT9 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
SCHEMBL4502225 0.84 ENPP2 (0.35) ENPP2
SCHEMBL4504457 0.83 ENPP2 (0.42) CYP1A2CYP3A4CYP2C19MAPTCASR
SCHEMBL4513405 0.80 ENPP2 (0.34) ENPP2
SCHEMBL4492347 0.75 ENPP2 (0.43) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL3240206 0.75 NR1H2 (0.39) NR1H2NR1H3GCKNPC1NR4A2
SCHEMBL4502158 0.75 ENPP2 (0.40) NPC1RAB9ACYP3A4GAAMAPT
SCHEMBL4498654 0.74 ENPP2 (0.35) NPC1RAB9ATP53ENPP2
SCHEMBL4504228 0.73 CRHR1 (0.37) GCKNPC1RAB9ATP53CYP3A4
SCHEMBL3236140 0.71 CYP1A2 (0.47) NPC1NR4A2RAB9ATP53MAOB
SCHEMBL4516940 0.69 LMNA (0.39) NPC1RAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 NR1H2 313/4885NR1H3 377/4885GCK 2228/4885

“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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