SCHEMBL3190328

SCHEMBL3190328

CC(=N)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GPR55 Q9Y2T6 1/20 0.55
NR2E3 Q9Y5X4 8/20 0.53
NPBWR1 P48145 1/20 0.52
THRB P10828 1/20 0.52
DGAT1 O75907 1/20 0.50
TP53 P04637 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47

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
SCHEMBL1251122 0.88 ALDH1A1 (0.65) KDRKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL3205665 0.81 ALDH1A1 (0.62) KDRKDM4EALDH1A1NPC1RAB9A
SCHEMBL1250181 0.80 DGAT1 (0.79) KDRNR2E3NPBWR1THRBDGAT1
SCHEMBL3200893 0.80 ALDH1A1 (0.63) KDRKDM4EALDH1A1NR2E3NPBWR1
SCHEMBL3190104 0.77 ABL1 (0.48) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL3208450 0.77 ALDH1A1 (0.56) KDRKDM4EALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL3203756 0.76 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9ANR2E3
SCHEMBL3196269 0.76 ALDH1A1 (0.78) KDM4EALDH1A1NPC1RAB9ATHRB
SCHEMBL3182317 0.76 ALDH1A1 (0.78) KDM4EALDH1A1NPC1RAB9ANR2E3
Bromide SCHEMBL3194129 0.76 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9ANR2E3

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 KDR 4122/4885KDM4E 3052/4885ALDH1A1 1195/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 KDR 4122/4885KDM4E 3052/4885ALDH1A1 1195/4885

“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.