SCHEMBL14725642

SCHEMBL14725642

c1ccc(-c2ncc(-c3cc4cc5c(cc(-c6cnc(-c7ccccc7)nc6)c6ccc7c8ccccc8oc7c65)cc4c4c3ccc3c5ccccc5oc34)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 8/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
HPGDS O60760 4/20 0.36
ALOX5 P09917 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL14725721 0.90 NPC1 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14725652 0.82 CYP11B1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14725719 0.80 NPC1 (0.38) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14882944 0.80 KDM4E (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14725636 0.80 CYP11B1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL21310221 0.80 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14725668 0.79 ALOX5 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12996561 0.78 ALOX5 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14725664 0.78 ALOX5 (0.39) RAB9AALDH1A1HPGDMAPTPOLB
SCHEMBL14725717 0.77 ALOX5 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 NPC1 1953/4885RAB9A 1964/4885SMN1; SMN2 1873/4885

“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.