SCHEMBL2458581

SCHEMBL2458581

Clc1cc(Cl)c(-c2ccccc2)c(-c2ncccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
METAP2 P50579 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD11B1 P28845 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRM5 P41594 2/20 0.36
CYP19A1 P11511 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL3201695 0.79 ALDH1A1 (0.46) ALDH1A1HPGDTSHRHSD17B10CCR1
SCHEMBL28968470 0.78 PTGDR2 (0.45) SMN1; SMN2METAP2NPC1ALDH1A1TP53
SCHEMBL2932603 0.76 AHR (0.52) SMN1; SMN2NPC1ALDH1A1TP53HPGD
Hydrogen Sulfide SCHEMBL11666785 0.74 AHR (0.50) SMN1; SMN2NPC1ALDH1A1TP53HPGD
SCHEMBL5740853 0.74 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CCR1CCR5
SCHEMBL27850823 0.73 ESR2 (0.48) SMN1; SMN2NPC1ALDH1A1TP53HPGD
SCHEMBL29211652 0.73 ESR2 (0.48) SMN1; SMN2NPC1ALDH1A1TP53HPGD
SCHEMBL2140618 0.72 CYP2A6 (0.50) SMN1; SMN2METAP2NPC1ALDH1A1TP53
SCHEMBL8942517 0.72 CYP1A2 (0.59) ALDH1A1TSHRNPSR1HSD17B10CYP3A4
SCHEMBL28033737 0.72 NPC1 (0.43) SMN1; SMN2NPC1TP53TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11968893-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2024-04-23 US disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
US-20180269403-A1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2018-09-20 US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 US disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 US disclosed
US-20130079517-A1 Electroluminescent Device BASF SE (DE) 2013-03-28 US disclosed
US-8012602-B2 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness BASF SE (DE) 2011-09-06 US disclosed
US-20100240892-A1 ELECTROLUMINESCENT DEVICE SCHAEFER THOMAS 2010-09-23 US disclosed
EP-1556360-B1 ELECTROLUMINESCENT DEVICE CIBA SC HOLDING AG (CH) 2008-01-23 EP disclosed
US-20060041126-A1 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-23 US disclosed
EP-1556360-A1 ELECTROLUMINESCENT DEVICE Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
WO-2004039786-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-13 WO 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 (7 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-20060041126-A1 Blue emitting, durable, organoelectroluminescent layers containing pyrimidine moieties; full color displays; light emission efficiency and brightness AXL, TK1, TYMP SMN1; SMN2 2665/4885METAP2 1166/4885NPC1 4711/4885
US-20180269403-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL SMN1; SMN2 2385/4885METAP2 1436/4885NPC1 4737/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL SMN1; SMN2 2385/4885METAP2 1436/4885NPC1 4737/4885
US-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP SMN1; SMN2 3206/4885METAP2 802/4885NPC1 4733/4885
US-20130079517-A1 Electroluminescent Device DPYD, PNPO, TYMP SMN1; SMN2 3206/4885METAP2 802/4885NPC1 4733/4885
US-11968893-B2 Electroluminescent device PNPO, ODC1, AXL SMN1; SMN2 2385/4885METAP2 1436/4885NPC1 4737/4885
US-20100240892-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL SMN1; SMN2 2385/4885METAP2 1436/4885NPC1 4737/4885

“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.