SCHEMBL21335645

SCHEMBL21335645

CCCc1ccc2c(c1)C(=O)N(CCN)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TNF P01375 1/20 0.40
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 1/20 0.36
PARP1 P09874 1/20 0.36
HTT P42858 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL18616795 0.89 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTNFHTR2A
SCHEMBL20672033 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDTNFCNR2
SCHEMBL7903003 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHTR2AHTR2C
SCHEMBL30782323 0.77 ADAM17 (0.42) ADAM17ITGB3ITGA2B
SCHEMBL27136850 0.77 ADAM17 (0.42) ADAM17ITGB3ITGA2B
SCHEMBL27103183 0.77 KDM4E (0.45) KDM4EALDH1A1HPGDTNFHTR2A
SCHEMBL27137063 0.73 DRD3 (0.46) KDM4EALDH1A1HPGDHTR2AHTR2C
SCHEMBL27103173 0.73 MEN1 (0.55) KDM4EALDH1A1HPGDALOX15LMNA
SCHEMBL5034168 0.72 KDM4E (0.64) KDM4EALDH1A1HPGDALOX15TSHR
Hydrochloric Acid SCHEMBL27137415 0.72 MEN1 (0.54) KDM4EALDH1A1HPGDALOX15LMNA

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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 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-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 KDM4E 1904/4885ALDH1A1 83/4885HPGD 164/4885

“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.