SCHEMBL3208450

SCHEMBL3208450

CC(=N)Nc1ccc2[nH]c(-c3ccccc3C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
THRB P10828 1/20 0.50
KDR P35968 1/20 0.46
LDLR P01130 1/20 0.45
NPBWR1 P48145 1/20 0.44
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
PLG P00747 2/20 0.42
PLAU P00749 2/20 0.42
PLAT P00750 2/20 0.42
PRSS1 P07477 2/20 0.42
PTGES O14684 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL13343720 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATHRB
Bromide SCHEMBL3204803 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ATHRB
SCHEMBL13343715 0.84 PDE5A (0.50) F2F10PLGPLAUPLAT
SCHEMBL13343686 0.83 KDM4E (0.53) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13420244 0.80 EGFR (0.54) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL4496122 0.79 KDM4E (0.61) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13343685 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL31612380 0.78 ATM (0.57) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13343688 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13420279 0.77 HPSE (0.46) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A

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 8 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
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-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-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 1195/4885SMN1; SMN2 3663/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 ALDH1A1 1195/4885SMN1; SMN2 3663/4885NPC1 4082/4885

“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.