SCHEMBL3196269

SCHEMBL3196269

CC(=N)Nc1ccc2nc(-c3ccco3)[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.78
RAB9A P51151 12/20 0.78
KDM4E B2RXH2 10/20 0.78
SMN1; SMN2 Q16637 8/20 0.78
MAPT P10636 10/20 0.68
NPC1 O15118 9/20 0.68
TP53 P04637 9/20 0.68
POLB P06746 9/20 0.68
NPSR1 Q6W5P4 1/20 0.68
HSD17B10 Q99714 8/20 0.62
HPGD P15428 6/20 0.62
USP2 O75604 3/20 0.62
CASP7 P55210 1/20 0.62
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
GAA P10253 2/20 0.57
ALOX5 P09917 1/20 0.57
EPHX2 P34913 1/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL10757622 0.82 ALDH1A1 (0.76) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3205665 0.79 ALDH1A1 (0.62) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3204547 0.78 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL2244651 0.78 ALDH1A1 (0.82) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL10760940 0.77 ALDH1A1 (0.68) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL12082439 0.76 ALOX5 (0.69) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL8603371 0.76 ALOX5 (0.73) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL3203756 0.76 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
Bromide SCHEMBL3194129 0.76 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3190328 0.76 KDR (0.55) ALDH1A1RAB9AKDM4ESMN1; SMN2NPC1

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 ALDH1A1 1195/4885RAB9A 2198/4885KDM4E 3052/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ALDH1A1 1195/4885RAB9A 2198/4885KDM4E 3052/4885

“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.