SCHEMBL3104331

SCHEMBL3104331

Cc1nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 6/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
LMNA P02545 2/20 0.53
ASIC3 Q9UHC3 1/20 0.53
KMT2A Q03164 3/20 0.51

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
SCHEMBL12109610 0.86 MAPT (0.57) NPC1RAB9AL3MBTL1MAPTSMN1; SMN2
SCHEMBL12109613 0.83 MAPT (0.67) NPC1RAB9AL3MBTL1MAPTTP53
SCHEMBL13290583 0.82 HPGD (0.53) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL12109603 0.81 RAB9A (0.56) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL1247905 0.79 RAB9A (0.63) NPC1RAB9AL3MBTL1MAPTTP53
SCHEMBL3101925 0.79 L3MBTL1 (0.83) NPC1RAB9AL3MBTL1MAPTTP53
SCHEMBL3170463 0.78 ADORA3 (0.40) NPC1RAB9AL3MBTL1SMN1; SMN2KMT2A
SCHEMBL4983521 0.77 TRPV1 (0.65) NPC1RAB9AL3MBTL1MAPTTP53
SCHEMBL3156424 0.77 ADORA2A (0.46) NPC1RAB9AL3MBTL1MAPTTP53
SCHEMBL3101094 0.77 ROCK2 (0.69) NPC1RAB9AL3MBTL1MAPTTP53

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-8362056-B2 4-heteroaryl-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-01-29 US disclosed
US-20100273850-A1 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA, INC. 2010-10-28 US disclosed
WO-2009061730-A2 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID ARRAY BIOPHARMA INC. (US) 2009-05-14 WO 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-20100273850-A1 4-HETEROARYL-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, PTGDR2 NPC1 2895/4885RAB9A 1817/4885L3MBTL1 2188/4885

“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.