SCHEMBL18200710

SCHEMBL18200710

c1ccc(-c2cnc(-c3nc4ccccc4c4c3ccc3ccccc34)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
MAPK10 P53779 1/20 0.38
MET P08581 1/20 0.36
ADORA2A P29274 2/20 0.36
DHODH Q02127 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
GPR3 P46089 1/20 0.35
NUDT1 P36639 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 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
SCHEMBL18200678 0.92 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18201266 0.89 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18201265 0.89 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18200711 0.88 MAPT (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18201300 0.87 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18201268 0.87 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18201295 0.87 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18200670 0.87 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18201183 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18200775 0.85 LMNA (0.42) NPC1RAB9ASMN1; SMN2MAPTLMNA

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 4 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
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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 2864/4885SMN1; SMN2 3944/4885

“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.