SCHEMBL3206969

SCHEMBL3206969

COC(=O)c1ccc(-c2nc3cc(N)ccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.68
ALDH1A1 P00352 5/20 0.68
PKM P14618 4/20 0.68
KDM4E B2RXH2 4/20 0.68
RAB9A P51151 3/20 0.68
NPC1 O15118 3/20 0.68
HPGD P15428 3/20 0.68
LMNA P02545 2/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
RHEB Q15382 1/20 0.67
MMP2 P08253 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
MMP13 P45452 1/20 0.62
MAPT P10636 4/20 0.56
TP53 P04637 2/20 0.56
TNKS O95271 1/20 0.54
ATM Q13315 1/20 0.52

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
SCHEMBL20982713 0.89 KDM4E (0.75) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL25318263 0.89 KDM4E (0.75) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL29906102 0.89 KDM4E (0.75) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL14381943 0.86 KDM4E (0.70) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL14381945 0.85 RHEB (0.71) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL19747752 0.85 MMP2 (0.70) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL27951925 0.84 CHEK2 (0.62) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL1663947 0.84 KDM4E (0.63) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
Hydrochloric Acid SCHEMBL19739317 0.84 MMP2 (0.68) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A
SCHEMBL14437714 0.82 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1PKMKDM4ERAB9A

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 1195/4885PKM 3117/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 SMN1; SMN2 3663/4885ALDH1A1 1195/4885PKM 3117/4885

“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.