SCHEMBL1129558

SCHEMBL1129558

O=C(c1ccc(Cl)cc1)C1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
MGLL Q99685 1/20 0.43
LTC4S Q16873 1/20 0.43
TNK2 Q07912 1/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 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
SCHEMBL9389800 0.85 ALDH1A1 (0.54) ALDH1A1RAB9ATNK2NPC1MEN1
SCHEMBL14650448 0.83 HPGD (0.45) ALDH1A1HTTHSD17B10CES2CES1
SCHEMBL169922 0.83 MCL1 (0.49) ALDH1A1HTTRAB9ANPC1HPGD
SCHEMBL10682866 0.78 MAPT (0.51) ALDH1A1LMNAHTTCES2CES1
SCHEMBL27351823 0.77 HPGD (0.51) ALDH1A1HTTHSD17B10RAB9ANPC1
SCHEMBL6209470 0.76 MGLL (0.60) ALDH1A1LMNASMN1; SMN2HTTGLA
Chlorobenzene SCHEMBL27799673 0.75 GAA (0.45) ALDH1A1LMNASMN1; SMN2HTTGLA
SCHEMBL2322628 0.74 MGLL (0.64) ALDH1A1LMNASMN1; SMN2HTTRAB9A
SCHEMBL6937389 0.74 SSTR4 (0.43)
SCHEMBL4566340 0.74 KMO (0.50) ALDH1A1HTTHSD17B10KDM4EMEN1

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 ALDH1A1 292/4885LMNA 3418/4885SMN1; SMN2 267/4885

“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.