SCHEMBL9864036

SCHEMBL9864036

ClCCc1nnc2ccccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 1/20 0.39
NOS1 P29475 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LCK P06239 1/20 0.32
MAP2K3 P46734 1/20 0.32
MAP2K6 P52564 1/20 0.32
BTK Q06187 1/20 0.32
MAP3K19 Q56UN5 1/20 0.32
NEK10 Q6ZWH5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7836462 0.81 GPR3 (0.42) GPR3MAOAMAOBPDE4APDE4B
SCHEMBL1641532 0.76 PABPC1 (0.34) HTTCYP1A2CYP2C19CYP2D6
SCHEMBL9864633 0.73 ALDH1A1 (0.35) KMT2AALDH1A1HTTKDM4EHPGD
SCHEMBL3181329 0.71 GPR3 (0.59) GPR3MAOAMAOBKMT2ANOS1
SCHEMBL10964206 0.70 GPR3 (0.56) GPR3MAOAMAOBKMT2ANOS1
SCHEMBL6785837 0.69 MAOA (0.53) GPR3MAOAMAOBKMT2APDE4B
SCHEMBL29750439 0.69 KMT2A (0.48) MAOAMAOBKMT2ALMNATDP1
SCHEMBL28855974 0.68 GPR3 (0.54) GPR3MAOAMAOBKMT2ANOS1
SCHEMBL6227884 0.68 GPR3 (0.54) GPR3MAOAMAOBKMT2ANOS1
SCHEMBL22124889 0.68 GPR3 (0.54) GPR3MAOAMAOBKMT2ANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031686-A1 PHENYL-OXAZOLYL DERIVATIVES, PREPARATION METHOD THEREOF, AND RELATED APPLICATION OF THE PHENYL-OXAZOLYL DERIVATIVES AS AN IMPDH INHIBITOR INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2015-01-29 US disclosed
US-4988695-A Gastrointestinal disorders, antisecretory agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-01-29 US disclosed
EP-0380257-A2 Condensed cinnoline derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1990-08-01 EP 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-20150031686-A1 PHENYL-OXAZOLYL DERIVATIVES, PREPARATION METHOD THEREOF, AND RELATED APPLICATION OF THE PHENYL-OXAZOLYL DERIVATIVES AS AN IMPDH INHIBITOR IMPDH1, IMPDH2, IMPA1 GPR3 4502/4885MAOA 176/4885MAOB 166/4885

“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.