SCHEMBL3479424

SCHEMBL3479424

N#Cc1cc(Br)c(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 3/20 0.48
GALR3 O60755 1/20 0.48
PIM1 P11309 3/20 0.45
POLB P06746 3/20 0.45
GLA P06280 2/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.40
PDE5A O76074 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1404528 0.79 KDM4E (0.51) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL3479396 0.74 KDM4E (0.53) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL11629754 0.71 GUSB (0.48) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL10896424 0.70 MCL1 (0.68) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL3401285 0.70 MCL1 (0.45) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL17266575 0.69 LRRK2 (0.49) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL9316783 0.69 LRRK2 (0.47) HPGDALDH1A1KDM4EGAAPIM1
SCHEMBL12427051 0.69 HPGD (0.69) HPGDALDH1A1KDM4EGAAGALR3
SCHEMBL3661291 0.69 NPSR1 (0.46) HPGDALDH1A1KDM4EGAAGLA
SCHEMBL28521211 0.69 ALDH1A1 (0.57) HPGDALDH1A1KDM4EGAAGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-02-04 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-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH HPGD 3349/4885ALDH1A1 3380/4885KDM4E 1920/4885

“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.