SCHEMBL3200875

SCHEMBL3200875

Cc1ccccc1-c1nc2cc(N)ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.67
ALDH1A1 P00352 10/20 0.67
NPC1 O15118 10/20 0.67
RAB9A P51151 10/20 0.67
HPGD P15428 9/20 0.67
NPSR1 Q6W5P4 2/20 0.67
HTT P42858 2/20 0.67
KDM4E B2RXH2 9/20 0.56
MAPT P10636 9/20 0.56
HSD17B10 Q99714 6/20 0.56
GAA P10253 5/20 0.56
RECQL P46063 1/20 0.56
NPBWR1 P48145 1/20 0.51
TP53 P04637 3/20 0.50
GLA P06280 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 2/20 0.48
RCE1 Q9Y256 1/20 0.48
PKM P14618 2/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL31289457 1.00 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL4496081 0.89 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL30863444 0.89 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3200890 0.88 MAPT (0.72) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL11284874 0.84 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL4496268 0.84 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL22113007 0.84 GAA (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL2245639 0.83 F2 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3182107 0.82 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3834420 0.82 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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 SMN1; SMN2 3663/4885ALDH1A1 1195/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 SMN1; SMN2 3663/4885ALDH1A1 1195/4885NPC1 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.