SCHEMBL16800095

SCHEMBL16800095

C/C=C/c1sc2ccccc2[n+]1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.61
▸ ADRB1 P08588 2/20 0.61
▸ INSR P06213 10/20 0.58
▸ MAPT P10636 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ SNCA P37840 1/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ MEN1 O00255 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL14561804 1.00 ADRB2 (0.61) ADRB2ADRB1INSRMAPTPOLB
Iodide SCHEMBL29846433 0.98 ADRB2 (0.59) ADRB2ADRB1INSRMAPTPOLB
Iodide SCHEMBL6246881 0.80 INSR (0.70) ADRB2ADRB1INSRMAPTPOLB
Hydrochloric Acid SCHEMBL11516421 0.79 INSR (0.60) ADRB2ADRB1INSRMAPTPOLB
Hydrochloric Acid SCHEMBL11516423 0.79 INSR (0.60) ADRB2ADRB1INSRMAPTPOLB
SCHEMBL16800102 0.79 MAPT (0.63) INSRMAPTPOLBHTTRAB9A
SCHEMBL7762854 0.78 ADRB2 (0.54) ADRB2ADRB1INSRMAPTPOLB
SCHEMBL30846518 0.78 ADRB2 (0.54) ADRB2ADRB1INSRMAPTPOLB
SCHEMBL16520745 0.78 ADRB2 (0.54) ADRB2ADRB1INSRMAPTPOLB
Iodide SCHEMBL5377348 0.77 ADRB2 (0.53) ADRB2ADRB1INSRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147125-A1 CYCLOBUTYL-SUBSTITUTED PHENOXY-DIOXETANES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-07-11 — — WO disclosed
WO-2023018377-A2 ULTRABRIGHT CHEMILUMINESCENT PROBES FOR DETECTION AND IMAGING NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-02-16 — — WO disclosed
US-20170117477-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-04-27 — — US disclosed
US-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
US-20160299078-A1 Specific Detection and Quantification of Cardiolipin and Isolated Mitochondria by Positively Charged AIE Fluorogens and Method of Manufacturing Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-10-13 — — US disclosed
US-20160299078-A1 Specific Detection and Quantification of Cardiolipin and Isolated Mitochondria by Positively Charged AIE Fluorogens and Method of Manufacturing Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-10-13 — — US disclosed
WO-2015081860-A1 SPECIFIC DETECTION AND QUANTIFICATION OF CARDIOLIPIN AND ISOLATED MITOCHONDRIA BY POSITIVELY CHARGED AIE FLUOROGENS AND METHOD OF MANUFACTURING THEREOF THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-06-11 — — 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 (2 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-20170084839-A1 ORGANIC SEMICONDUCTING COMPOUNDS PPOX, OSTC, OCIAD1 ADRB2 1561/4885ADRB1 1990/4885INSR 310/4885
US-20170117477-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, OSTC ADRB2 2846/4885ADRB1 3250/4885INSR 2510/4885

“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.

Send feedback