SCHEMBL1128830

SCHEMBL1128830

OC(c1ccc(Cl)cc1)C1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.45
RAB9A P51151 1/20 0.44
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21363516 0.90 RAB9A (0.38) SLC6A3RAB9ASLC6A2SLC6A4ALDH1A1
SCHEMBL9891700 0.83 SLC6A3 (0.40) SLC6A3ALDH1A1SMN1; SMN2HPGD
SCHEMBL31618596 0.83 SLC6A3 (0.56) SLC6A3KMT2ATDP1GAAHPGD
SCHEMBL9130358 0.78 SLC6A3 (0.56) SLC6A3RAB9ASLC6A2SLC6A4
SCHEMBL1237578 0.78 POLB (0.42) SLC6A3RAB9AALDH1A1
SCHEMBL11348436 0.77 SLC6A3 (0.50) SLC6A3KMT2ATDP1SMN1; SMN2GAA
SCHEMBL29177029 0.75 RAB9A (0.48) SLC6A3RAB9AALDH1A1KMT2AATM
SCHEMBL8611840 0.74 DHODH (0.51) SLC6A3RAB9ASLC6A2SLC6A4ALDH1A1
SCHEMBL7375852 0.73 HSD17B3 (0.42) SLC6A3ALDH1A1SMN1; SMN2HPGD
SCHEMBL10562369 0.73 USP5 (0.48) SLC6A3RAB9AALDH1A1KMT2ASMN1; SMN2

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 SLC6A3 1830/4885RAB9A 687/4885SLC6A2 2545/4885

“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.