SCHEMBL1129756

SCHEMBL1129756

Clc1ccc(CC2CCCO2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
POLB P06746 2/20 0.46
ALOX12 P18054 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
NPC1 O15118 1/20 0.44
OXTR P30559 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1129701 0.95 KMT2A (0.56) KMT2ASMN1; SMN2HPGDALDH1A1HTT
SCHEMBL27871762 0.81 ALDH1A1 (0.46) KMT2ASMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL10791772 0.81 GAA (0.44) KMT2ASMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL11242352 0.81 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2HPGDALDH1A1HTT
SCHEMBL31372524 0.81 RAB9A (0.50) SMN1; SMN2HPGDALDH1A1
SCHEMBL19493715 0.81 RAB9A (0.50) SMN1; SMN2HPGDALDH1A1
SCHEMBL2042093 0.81 RAB9A (0.50) SMN1; SMN2HPGDALDH1A1
Water SCHEMBL28259876 0.79 RAB9A (0.49) SMN1; SMN2HPGDALDH1A1
SCHEMBL19662095 0.79 MGLL (0.51) KMT2ASMN1; SMN2HPGDALDH1A1OXTR
SCHEMBL1499186 0.78 MAOB (0.42) KMT2AALDH1A1POLB

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 KMT2A 1103/4885SMN1; SMN2 267/4885HPGD 1283/4885

“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.