SCHEMBL9894859

SCHEMBL9894859

CCOC(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ccccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GALK1 P51570 2/20 0.44
MAPT P10636 5/20 0.43
TSHR P16473 3/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
SENP6 Q9GZR1 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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 0.88 CSNK1D (0.50) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9897046 0.87 SCD (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9895328 0.86 CSNK1D (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9896194 0.83 CSNK1D (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9896694 0.82 GCGR (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9895023 0.82 PTPN1 (0.45) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9895818 0.82 PTPN1 (0.45) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9896499 0.82 GCGR (0.47) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL9895445 0.81 GCGR (0.47) SMN1; SMN2TP53KMT2AALDH1A1GALK1
SCHEMBL9895188 0.77 CTSL (0.46) MAPTRAF1BRAFPOLBLMNA

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 RAB9A 1669/4885NPC1 599/4885SMN1; SMN2 1750/4885

“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.