SCHEMBL17456643

SCHEMBL17456643

Cc1ccccc1C(Cl)=NN=C(Cl)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 3/20 0.50
AKR1C3 P42330 1/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
PLAU P00749 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
AHR P35869 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL17470407 1.00 NPC1 (0.50) NPC1RAB9AAKR1C3MAPTTP53
SCHEMBL31406274 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL15218724 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL15205392 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL18327180 0.85 NPC1 (0.39) NPC1RAB9AMAPTTP53LMNA
SCHEMBL28460372 0.85 NPC1 (0.39) NPC1RAB9AMAPTTP53LMNA
SCHEMBL27007729 0.85 FLT1 (0.38) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL27129876 0.85 FLT1 (0.38) NPC1RAB9AMAPTMAPK1ALDH1A1
SCHEMBL18254457 0.83 RXFP1 (0.41) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL28466910 0.83 RXFP1 (0.41) NPC1RAB9AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160028027-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-01-28 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-20160028027-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device TTI2, INTS9, LAGE3 NPC1 4499/4885RAB9A 3100/4885AKR1C3 4577/4885

“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.