SCHEMBL3204255

SCHEMBL3204255

COc1ccccc1-c1cc2cc(NC(C)=N)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
APP P05067 1/20 0.43
PDGFRB P09619 10/20 0.43
KDR P35968 10/20 0.43
CNR1 P21554 1/20 0.41
IKBKB O14920 1/20 0.41
EGFR P00533 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
AHR P35869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL3201137 0.82 PDGFRB (0.45) PDGFRBKDR
SCHEMBL3191971 0.82 PDGFRB (0.44) PDGFRBKDRCNR1
SCHEMBL3196705 0.79 ESR1 (0.44) HDAC6APPPDGFRBKDRTP53
SCHEMBL3191902 0.79 TP53 (0.51) EGFRKDM4ERAB9ANPC1ALDH1A1
SCHEMBL3203960 0.78 HDAC6 (0.56) HDAC6APPCNR1IKBKBKDM4E
SCHEMBL3194962 0.77 HDAC6 (0.45) HDAC6CNR1IKBKBRAB9ANPC1
SCHEMBL14781305 0.76 APP (0.53) HDAC6APPIKBKBEGFRRAB9A
SCHEMBL17167476 0.75 APP (0.59) APPKDM4ERAB9AALDH1A1HPGD
SCHEMBL3190477 0.74 HDAC6 (0.41) HDAC6APPPDGFRBKDRIKBKB
SCHEMBL3196034 0.74 MAOA (0.54) PDGFRBKDM4ERAB9ANPC1ALDH1A1

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 HDAC6 1057/4885APP 2794/4885PDGFRB 2873/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 HDAC6 1057/4885APP 2794/4885PDGFRB 2873/4885

“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.