SCHEMBL3363002

SCHEMBL3363002

CCCCCc1cc(-c2nnn[nH]2)c(C=CC(=O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
HCAR3 P49019 1/20 0.33
ATG4B Q9Y4P1 12/20 0.33
PLA2G1B P04054 10/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL3362996 1.00 KDM4E (0.34) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL3361962 0.80 KDM4E (0.34) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL3361968 0.80 KDM4E (0.34) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL3329387 0.71 CCNC (0.34) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL3329383 0.71 CCNC (0.34) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL3361063 0.68 HIF1A (0.33)
SCHEMBL4706305 0.65 CYP3A4 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL11124268 0.64 KMT2A (0.53) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL11124265 0.64 KMT2A (0.53) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL3328746 0.64 TBXAS1 (0.38) KDM4EALDH1A1RAB9AHCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 KDM4E 3392/4885NPC1 1893/4885ALDH1A1 2098/4885

“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.