SCHEMBL10105448

SCHEMBL10105448

CNC(=O)c1ccc(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)(c3ccc(NC(=O)c4ccc(C(=O)NC)cc4)cc3)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc(C(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)(c6ccc(NC(=O)c7ccc(C(=O)NC)cc7)cc6)c6ccc(NC(=O)c7ccc(C(=O)Nc8ccc(C(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)(c9ccc(NC(=O)c%10ccc(C(=O)NC)cc%10)cc9)c9ccc(NC(=O)c%10ccc(C(=O)OC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
ATM Q13315 1/20 0.63
PTPN1 P18031 1/20 0.60
PSMD14 O00487 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
TP53 P04637 3/20 0.53
ALOX15 P16050 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 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
SCHEMBL3882727 0.86 HDAC3 (0.71) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL4611487 0.86 HDAC3 (0.71) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL8660366 0.85 NPC1 (0.83) NPC1RAB9AATMPTPN1PSMD14
SCHEMBL6263820 0.85 NPC1 (0.83) NPC1RAB9AATMPTPN1PSMD14
SCHEMBL13126268 0.83 NPC1 (0.55) NPC1RAB9AATMKMT2AALDH1A1
SCHEMBL18019596 0.82 NPC1 (0.69) NPC1RAB9APTPN1CACNA1BAPBA1
SCHEMBL1763760 0.82 PLK1 (0.67) NPC1RAB9AATMKMT2AALDH1A1
SCHEMBL13127203 0.81 NPC1 (0.65) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL5697470 0.81 NR1H4 (0.68) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL14424704 0.80 NPC1 (0.69) NPC1RAB9AATMPTPN1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093347-B2 Structured organic films XEROX CORPORATION (US) 2012-01-10 US disclosed
US-20100227998-A1 STRUCTURED ORGANIC FILMS XEROX CORPORATION (US) 2010-09-09 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-20100227998-A1 STRUCTURED ORGANIC FILMS VIM, PUF60, EPCAM NPC1 3913/4885RAB9A 4216/4885ATM 2182/4885

“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.