SCHEMBL1129701

SCHEMBL1129701

Clc1ccc(CC2CCCCO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 4/20 0.42
ALOX12 P18054 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPC1 O15118 1/20 0.41
TNK2 Q07912 1/20 0.40
OXTR P30559 1/20 0.40
KCNH2 Q12809 1/20 0.39
CHIT1 Q13231 1/20 0.39
CHIA Q9BZP6 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
SCHEMBL1129756 0.95 KMT2A (0.62) KMT2ASMN1; SMN2HPGDALDH1A1HTT
SCHEMBL15371049 0.82 ALDH1A1 (0.42) KMT2ASMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL24763632 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1HTTNPC1
SCHEMBL2184433 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1HTTNPC1
SCHEMBL14097842 0.82 ESR1 (0.43) KMT2ASMN1; SMN2NPC1TNK2
SCHEMBL28263198 0.81 SLC6A2 (0.46) SMN1; SMN2HPGDALDH1A1POLB
SCHEMBL11249479 0.80 SLC6A2 (0.45) SMN1; SMN2HPGDALDH1A1POLB
SCHEMBL9336828 0.78 HPGD (0.50) SMN1; SMN2HPGDALDH1A1HTTNPC1
SCHEMBL8024954 0.77 KMT2A (0.48) KMT2AHPGDALDH1A1HTT
SCHEMBL1499186 0.77 MAOB (0.42) KMT2AALDH1A1POLBKCNH2CHIT1

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.