SCHEMBL3200933

SCHEMBL3200933

COc1ccc(-c2nc3ccc(NC(C)=N)cc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.61
SLC2A1 P11166 1/20 0.58
BAZ1A Q9NRL2 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 4/20 0.56
TP53 P04637 3/20 0.56
HPGD P15428 3/20 0.56
PKM P14618 2/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL29349700 0.88 ALDH1A1 (0.72) KDRSLC2A1BAZ1ASMN1; SMN2ALDH1A1
SCHEMBL3199373 0.87 ALDH1A1 (0.61) KDRBAZ1ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3208279 0.86 ALOX5 (0.62) KDRBAZ1ASMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL3205665 0.84 ALDH1A1 (0.62) KDRBAZ1ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3201303 0.82 NPBWR1 (0.58) KDRBAZ1ASMN1; SMN2ALDH1A1TP53
SCHEMBL8603235 0.80 SLC2A1 (0.76) SLC2A1SMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL6125695 0.80 ATM (0.79) KDRSMN1; SMN2ALDH1A1NPC1HPGD
SCHEMBL3193041 0.79 ALDH1A1 (0.53) BAZ1ASMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL1666758 0.79 ATM (0.65) KDRSMN1; SMN2MAPTCHEK2
SCHEMBL20982659 0.78 NPC1 (0.85) SLC2A1SMN1; SMN2ALDH1A1NPC1TP53

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 KDR 4122/4885SLC2A1 3467/4885BAZ1A 3644/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 KDR 4122/4885SLC2A1 3467/4885BAZ1A 3644/4885

“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.