SCHEMBL3452204

SCHEMBL3452204

O=C(O)c1cccc(CN(Cc2cccs2)c2ccnc(-c3ccc(OCc4ccccc4)cc3)n2)c1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 15/20 0.45
NR4A2 P43354 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL13109714 0.99 MRGPRX4 (0.45) MRGPRX4NR4A2SMN1; SMN2TP53PKM
SCHEMBL3452584 0.92 ALOX5 (0.47) NR4A2SMN1; SMN2RXFP1KDM4ECYP1A2
SCHEMBL3452202 0.92 KDM4E (0.40) MRGPRX4NR4A2SMN1; SMN2RXFP1KDM4E
SCHEMBL13109717 0.91 ALOX5 (0.48) NR4A2SMN1; SMN2RXFP1KDM4ECYP1A2
SCHEMBL3453187 0.89 CYP1A2 (0.41) NR4A2SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL13109711 0.88 CYP1A2 (0.41) NR4A2SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL3452582 0.85 MMP13 (0.41) NR4A2SMN1; SMN2RXFP1RAB9AKDM4E
Hydrochloric Acid SCHEMBL3453153 0.83 MRGPRX4 (0.43) MRGPRX4SMN1; SMN2TP53RAB9ACYP1A2
SCHEMBL3453185 0.82 TRPM8 (0.41) NR4A2SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL13109685 0.75 CYP1A2 (0.43) SMN1; SMN2TP53RXFP1RAB9AKDM4E

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MRGPRX4 185/4885NR4A2 652/4885SMN1; SMN2 3982/4885

“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.