SCHEMBL18347014

SCHEMBL18347014

O=C(Nc1ccccc1-c1cccc2cccc(O)c12)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
DEGS1 O15121 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.51
TERT O14746 1/20 0.50
TOP1 P11387 1/20 0.50
DHODH Q02127 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
GPR35 Q9HC97 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
PTPN11 Q06124 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL8335663 0.89 NPC1 (0.71) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL6627530 0.84 NPC1 (0.69) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL18347033 0.81 NPC1 (0.54) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL20541898 0.80 NPC1 (0.64) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL18347022 0.80 TRPV1 (0.61) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL17915382 0.80 NPC1 (0.59) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL18347008 0.79 SIRT2 (0.58) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL19315743 0.79 NPC1 (0.52) NPC1RAB9ADEGS1MEN1KMT2A
SCHEMBL8337049 0.76 MEN1 (0.68) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL18347006 0.76 NPC1 (0.56) NPC1RAB9ADEGS1MEN1KMT2A

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 NPC1 3875/4885RAB9A 2864/4885DEGS1 3395/4885

“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.