SCHEMBL3203121

SCHEMBL3203121

CCCCCc1nc2ccc(N)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
KEAP1 Q14145 1/20 0.49
MAPT P10636 9/20 0.46
GAA P10253 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 3/20 0.46
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
PKM P14618 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43

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
Hydrochloric Acid SCHEMBL3202135 0.98 SMN1; SMN2 (0.51) SMN1; SMN2KEAP1MAPTGAANPC1
SCHEMBL10047756 0.82 NPC1 (0.63) SMN1; SMN2KEAP1MAPTGAANPC1
SCHEMBL30626914 0.82 NPC1 (0.63) SMN1; SMN2KEAP1MAPTGAANPC1
SCHEMBL8355908 0.82 MAOB (0.54) MAPTGAANPC1RAB9AKDM4E
SCHEMBL5946876 0.81 RAB9A (0.43) MAPTGAANPC1RAB9AKDM4E
SCHEMBL19370451 0.80 NPC1 (0.60) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL8361484 0.79 CYP1A2 (0.54) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL3853406 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KEAP1MAPTGAANPC1
SCHEMBL3192933 0.79 RIPK1 (0.62) SMN1; SMN2MAPTNPC1RAB9AKDM4E
SCHEMBL5791742 0.79 DYRK1A (0.52) SMN1; SMN2MAPTNPC1RAB9AKDM4E

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
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP 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 (1 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-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 SMN1; SMN2 3663/4885KEAP1 752/4885MAPT 4542/4885

“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.