SCHEMBL365024

SCHEMBL365024

Clc1ccc2c(I)ccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
SOS2 Q07890 1/20 0.61
CYP1A2 P05177 1/20 0.54
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PKM P14618 2/20 0.51
CCR1 P32246 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CHKA P35790 2/20 0.50
FERMT2 Q96AC1 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT5B Q4FZB7 1/20 0.47
KMT5C Q86Y97 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
ADRB2 P07550 1/20 0.47

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
SCHEMBL29923701 1.00 NR4A2 (0.61) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL317202 0.79 NR4A2 (0.66) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL29396540 0.79 NR4A2 (0.66) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL18544879 0.79 GAK (0.44) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL4744073 0.79 HTT (0.51) NR4A2SOS2CYP1A2KMT2AGAA
Bromide SCHEMBL1611915 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2MAPTKMT2A
Hydrochloric Acid SCHEMBL11519956 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2MAPTKMT2A
Bromide SCHEMBL1611919 0.78 NR4A2 (0.63) NR4A2SOS2CYP1A2MAPTKMT2A
Iodide SCHEMBL11565912 0.78 GAK (0.43) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL20427414 0.76 HTR1A (0.54) NR4A2SOS2CYP1A2MAPTKMT2A

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147153-A1 PEPTIDE-HISTIDINAL CONJUGATES AS AN ANTI-MALARIAL AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-07-11 WO disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 WO disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
WO-2009140769-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-26 WO disclosed
CN-101511817-A Pyridine-and quinoline-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2066658-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-06-10 EP disclosed
WO-2008031735-A1 PYRIDINE- AND QUINOLINE-PYRIMIDINE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
US-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES HOFFMAN-LA ROCHE INC. 2008-03-13 US disclosed
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
EP-0788497-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 EP disclosed
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 US disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 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 (4 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-20080064697-A1 PYRIDINE, QUINOLINE AND PYRIMIDINE DERIVATIVES SSTR5, SSTR3, NPY5R NR4A2 549/4885SOS2 3970/4885CYP1A2 608/4885
US-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS TARDBP, TDP1, TDP2 NR4A2 2118/4885SOS2 4733/4885CYP1A2 4781/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 NR4A2 2006/4885SOS2 2636/4885CYP1A2 4647/4885
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI NR4A2 3083/4885SOS2 4407/4885CYP1A2 234/4885

“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.