SCHEMBL9895056

SCHEMBL9895056

O=C(Nc1nc2ccccc2o1)C(Cc1ccc(F)cc1)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.46
PTPN1 P18031 3/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
SCD O00767 1/20 0.41
CTSS P25774 2/20 0.41
MEN1 O00255 3/20 0.40
GALK1 P51570 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9896229 0.86 CSNK1D (0.50) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9894659 0.82 PTPN1 (0.42) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9896194 0.82 CSNK1D (0.47) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9897046 0.80 SCD (0.47) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9895328 0.80 CSNK1D (0.44) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9895023 0.78 PTPN1 (0.45) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9896694 0.78 GCGR (0.44) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9895818 0.78 PTPN1 (0.45) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9894833 0.78 PTPN1 (0.43) CSNK1DPTPN1KMT2AMAPTNPC1
SCHEMBL9894859 0.76 RAB9A (0.46) CSNK1DPTPN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US claimed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 CSNK1D 2063/4885PTPN1 852/4885KMT2A 4754/4885

“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.