SCHEMBL13754692

SCHEMBL13754692

Cc1nc(C)c(-c2ccc(-c3ccc(Cl)cc3)cc2)c(O)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
GYS1 P13807 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 3/20 0.36
DHODH Q02127 1/20 0.36
IKBKB O14920 1/20 0.36
MAP3K14 Q99558 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2456950 0.73 MEN1 (0.42) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9580270 0.69 ALDH1A1 (0.44) RAB9AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4469320 0.66 RAB9A (0.40) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3054900 0.65 SENP1 (0.50) KMT2AMAPTGYS1MEN1IKBKB
SCHEMBL9613932 0.65 NQO2 (0.41) RAB9ASMN1; SMN2ALDH1A1CYP1A2CYP3A4
Methyl Alcohol SCHEMBL28374011 0.63 CYP1A2 (0.61) KMT2ARAB9ANPC1L3MBTL1AHR
SCHEMBL11593238 0.63 KMT2A (0.63) KMT2AMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL9614248 0.63 LMNA (0.42) RAB9ASMN1; SMN2ALDH1A1ALOX15MAPK1
SCHEMBL30209788 0.62 KDM4E (0.61) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9044830 0.62 MAPT (0.53) KMT2AMAPTRAB9ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP KMT2A 3141/4885MAPT 1942/4885RAB9A 2000/4885

“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.