SCHEMBL3487082

SCHEMBL3487082

COCCCOc1cccc(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
SMPD1 P17405 3/20 0.52
PRSS1 P07477 6/20 0.51
THRB P10828 1/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS2 P07478 1/20 0.48
C1S P09871 1/20 0.48
PRSS3 P35030 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9565397 0.92 KMT2A (0.54) KMT2ASMPD1PRSS1THRBNR1H4
SCHEMBL30785561 0.92 KMT2A (0.54) KMT2ASMPD1PRSS1THRBNR1H4
SCHEMBL11422303 0.87 PRSS1 (0.60) KMT2ASMPD1PRSS1THRB
SCHEMBL5202638 0.86 KMT2A (0.62) KMT2ASMPD1THRBNR1H4MAPK1
SCHEMBL2934559 0.86 KMT2A (0.71) KMT2ASMPD1PRSS1NR1H4KDM4E
SCHEMBL13461301 0.86 KMT2A (0.60) KMT2ASMPD1PRSS1
SCHEMBL8465014 0.84 SMPD1 (0.68) KMT2ASMPD1PRSS1THRBNR1H4
SCHEMBL3489393 0.84 ALDH1A1 (0.56) KMT2ASMPD1PRSS1KDM4ECYP1A2
SCHEMBL6356224 0.84 KMT2A (0.47) KMT2ASMPD1
SCHEMBL5200730 0.84 KMT2A (0.73) KMT2ASMPD1THRBNR1H4MAPK1

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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 KMT2A 921/4885SMPD1 1119/4885PRSS1 239/4885

“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.