SCHEMBL3203960

SCHEMBL3203960

COc1ccc(-c2cc3cc(NC(C)=N)ccc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
IKBKB O14920 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL3194962 0.89 HDAC6 (0.45) HDAC6SMN1; SMN2IKBKBALDH1A1HPGD
SCHEMBL3190477 0.84 HDAC6 (0.41) HDAC6SMN1; SMN2KDM4EIKBKBALDH1A1
SCHEMBL3194172 0.84 HDAC6 (0.41) HDAC6KDM4EALDH1A1MAPTNPC1
SCHEMBL3196705 0.84 ESR1 (0.44) HDAC6SMN1; SMN2MAPTTP53APP
SCHEMBL3194054 0.81 HDAC6 (0.45) HDAC6
SCHEMBL3201324 0.80 EIF2AK2 (0.41) HDAC6SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL3202698 0.79 CNR1 (0.42) HDAC6SMN1; SMN2IKBKBNPC1RAB9A
SCHEMBL3183267 0.79 ESRRG (0.44) HDAC6MAPTTP53CNR1
SCHEMBL3182125 0.78 HDAC6 (0.58) HDAC6SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL3204255 0.78 HDAC6 (0.44) HDAC6SMN1; SMN2KDM4EIKBKBALDH1A1

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 1057/4885SMN1; SMN2 3663/4885KDM4E 3052/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 HDAC6 1057/4885SMN1; SMN2 3663/4885KDM4E 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.