SCHEMBL13532136

SCHEMBL13532136

CCC(C)(C)c1cc(N)n(-c2ccc(C)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.49
STAT1 P42224 1/20 0.49
NPY5R Q15761 7/20 0.44
CDK8 P49336 1/20 0.44
POLB P06746 1/20 0.43
MAPK13 O15264 1/20 0.41

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
Hydrochloric Acid SCHEMBL3185615 0.98 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3771713 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL366727 0.85 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL1504021 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3174296 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL13330976 0.81 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1013244 0.80 CYP2C9 (0.57) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL21439857 0.79 CDK8 (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL15485072 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL15484888 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299074-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-20110312963-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2011-12-22 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 CN disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 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 (2 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-20110312963-A1 P38 MAP KINASE INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 NPC1 2933/4885RAB9A 2492/4885SMN1; SMN2 3979/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 NPC1 3662/4885RAB9A 3416/4885SMN1; SMN2 1714/4885

“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.