SCHEMBL3196249

SCHEMBL3196249

CC(=N)Nc1ccc2[nH]c(-c3ccc(C(=O)O)cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
KMT2A Q03164 3/20 0.54
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
MMP8 P22894 4/20 0.51
MMP13 P45452 4/20 0.51
HPSE Q9Y251 4/20 0.50
BAZ1A Q9NRL2 1/20 0.50
TP53 P04637 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR4A2 P43354 1/20 0.48
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHEK2 O96017 2/20 0.47
MPL P40238 1/20 0.46

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
SCHEMBL1664867 0.90 ALDH1A1 (0.59) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL3191781 0.89 CHEK2 (0.52) KDM4EALDH1A1HPGDKMT2AHPSE
SCHEMBL13343689 0.88 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AMMP2
Hydrochloric Acid SCHEMBL3202647 0.87 KDM4E (0.60) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL13343686 0.86 KDM4E (0.53) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL13420244 0.85 EGFR (0.54) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL13343681 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDKMT2AHPSE
SCHEMBL3182326 0.84 KDM4E (0.56) KDM4EALDH1A1HPGDKMT2AHPSE
Hydrochloric Acid SCHEMBL3202338 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDKMT2AHPSE
SCHEMBL20982455 0.82 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2AHPSE

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 8 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
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-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-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 KDM4E 3052/4885ALDH1A1 1195/4885HPGD 89/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 KDM4E 3052/4885ALDH1A1 1195/4885HPGD 89/4885

“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.