SCHEMBL3201303

SCHEMBL3201303

CC(=N)Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.58
DGAT1 O75907 4/20 0.57
KCNH2 Q12809 4/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
TP53 P04637 3/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
BAZ1A Q9NRL2 1/20 0.56
KDR P35968 1/20 0.54
CHEK2 O96017 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
SOAT1 P35610 1/20 0.51
EGFR P00533 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Hydrochloric Acid SCHEMBL3205665 0.83 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTP53GAA
SCHEMBL3200933 0.82 KDR (0.61) NPBWR1KDM4EALDH1A1HPGDTP53
SCHEMBL3202423 0.79 ALDH1A1 (0.63) KDM4EALDH1A1HPGDTP53GAA
SCHEMBL6518096 0.78 KDM4E (0.48) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL3193041 0.78 ALDH1A1 (0.53) KDM4EALDH1A1HPGDTP53GAA
SCHEMBL3208279 0.78 ALOX5 (0.62) KDM4EALDH1A1HPGDTP53GAA
Bromide SCHEMBL3204595 0.77 KDM4E (0.47) NPBWR1DGAT1KCNH2KDM4EALDH1A1
SCHEMBL3194175 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTP53GAA
SCHEMBL3204547 0.77 ALDH1A1 (0.52) NPBWR1KDM4EALDH1A1HPGDTP53
SCHEMBL20982487 0.77 MAPT (0.60) KDM4EALDH1A1HPGDTP53GAA

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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 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 (2 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 NPBWR1 323/4885DGAT1 3125/4885KCNH2 447/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPBWR1 323/4885DGAT1 3125/4885KCNH2 447/4885

“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.