SCHEMBL12450311

SCHEMBL12450311

Cc1ccc(C=Nn2cncn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 5/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MPI P34949 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL9821376 0.83 GAA (0.60) GAAPOLBHPGDALDH1A1KDM4E
SCHEMBL9821379 0.83 GAA (0.60) GAAPOLBHPGDALDH1A1KDM4E
SCHEMBL12275406 0.71 ALDH1A1 (0.64) GAAPOLBHPGDALDH1A1KDM4E
SCHEMBL12275405 0.71 ALDH1A1 (0.64) GAAPOLBHPGDALDH1A1KDM4E
SCHEMBL24727855 0.69 SMN1; SMN2 (0.44) GAAPOLBHPGDALDH1A1SMN1; SMN2
SCHEMBL4956254 0.67 POLB (0.57) GAAPOLBHPGDALDH1A1KDM4E
SCHEMBL28282172 0.66 KMT2A (0.46) GAAPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL9821551 0.65 POLB (0.48) GAAPOLBHPGDALDH1A1KDM4E
SCHEMBL2608307 0.63 NPC1 (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL11743247 0.63 NPC1 (1.00) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846737-B2 Compound STERIX LIMITED (GB) 2014-09-30 US disclosed
US-20120238550-A1 COMPOUND UNIVERSITY OF BATH (GB) 2012-09-20 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-20120238550-A1 COMPOUND OXSR1, OXER1, CBR1 GAA 4856/4885POLB 3831/4885HPGD 2270/4885

“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.