SCHEMBL5429451

SCHEMBL5429451

Cc1c(NC(=O)CCc2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.54
UBE2N P61088 1/20 0.54
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL5428767 0.92 MAPT (0.53) TSHRALDH1A1HPGDGAAMAPT
SCHEMBL5425614 0.86 MAPT (0.57) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL5814760 0.81 KLK6 (0.55) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL15143031 0.74 KMT2A (0.68) ALDH1A1HPGDGAAMAPTPOLB
SCHEMBL29506259 0.74 CNR1 (0.78) TSHRALDH1A1HPGDATMTP53
SCHEMBL31447965 0.74 MAPT (0.70) ALDH1A1HPGDGAALMNAMAPT
SCHEMBL28374383 0.74 MAPT (0.56) ALDH1A1HPGDGAAMAPTPOLB
SCHEMBL28880300 0.74 TSHR (0.81) TSHRALDH1A1TP53GAALMNA
SCHEMBL16026455 0.72 MAPT (0.82) TSHRALDH1A1GAALMNAMAPT
SCHEMBL31488466 0.72 TSHR (0.76) TSHRALDH1A1HPGDATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
EP-1628963-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES Aston University (GB) 2006-03-01 EP disclosed
WO-2004106306-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES ASTON UNIVERSITY (GB) 2004-12-09 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-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives CCKAR, CCKBR, GRPR TSHR 116/4885ALDH1A1 2093/4885HPGD 2413/4885

“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.