SCHEMBL3201542

SCHEMBL3201542

CC(=N)Nc1ccc2sc(CCc3ccccc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.44
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CLK1 P49759 1/20 0.37
S1PR5 Q9H228 1/20 0.36
TP53 P04637 2/20 0.35
CYP2A6 P11509 2/20 0.35
ADRB2 P07550 1/20 0.35
LMNA P02545 2/20 0.35
F9 P00740 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3191877 0.88 HDAC1 (0.44) HDAC1MAPTPOLBRAB9AS1PR5
SCHEMBL3203077 0.78 EPHX2 (0.50) MAPTPOLBRAB9ATP53LMNA
SCHEMBL3196705 0.76 ESR1 (0.44) HDAC1MAPTTP53F9SMN1; SMN2
SCHEMBL3205824 0.74 F10 (0.45) POLBRAB9AKDM4ESMN1; SMN2
SCHEMBL25444276 0.74 DAO (0.42) CYP2A6ADRB2SMN1; SMN2
SCHEMBL3205877 0.73 PLAU (0.50) MAPTPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL3203065 0.73 HDAC1 (0.42) HDAC1KDM4E
SCHEMBL3193606 0.71 TRPV1 (0.43) MAPTRAB9ATP53SMN1; SMN2
SCHEMBL3196195 0.71 PLAU (0.40) MAPTPOLBRAB9AKDM4ESMN1; SMN2
SCHEMBL25444292 0.71 DAO (0.40) RAB9ACYP2A6ADRB2

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 HDAC1 485/4885MAPT 4542/4885POLB 3621/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 HDAC1 485/4885MAPT 4542/4885POLB 3621/4885

“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.