SCHEMBL3236145

SCHEMBL3236145

[CH2]c1ccc(CN(CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ BCHE P06276 8/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.42
▸ SPHK1 Q9NYA1 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ PDCD1 Q15116 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
SCHEMBL3243410 0.77 BCHE (0.38) NPC1NR4A2RAB9ABCHETSHR
SCHEMBL3245808 0.76 HTT (0.40) HTTMEN1KMT2AALDH1A1LMNA
SCHEMBL3236140 0.74 CYP1A2 (0.47) NPC1NR4A2RAB9ABCHESPHK2
SCHEMBL3240410 0.74 HTT (0.61) BCHETSHRHSD17B10HTTMEN1
SCHEMBL6408450 0.71 NR4A2 (0.61) NPC1NR4A2RAB9AHTTMEN1
SCHEMBL9619489 0.69 HTT (0.63) BCHETSHRHSD17B10HTTMEN1
SCHEMBL17894432 0.67 TSHR (0.50) NPC1NR4A2RAB9ATSHRSPHK2
SCHEMBL16795598 0.66 NR4A2 (0.67) NPC1NR4A2RAB9ASPHK2SPHK1
SCHEMBL27805531 0.66 MAOB (0.70) NPC1NR4A2RAB9AHTTMEN1
SCHEMBL451492 0.66 BCHE (0.56) BCHETSHRHSD17B10CYP4F2CYP4A11

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 NPC1 233/4885NR4A2 3164/4885RAB9A 2192/4885

“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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