SCHEMBL2964828

SCHEMBL2964828

O=C(Cl)c1ccc(Cl)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SRD5A2 P31213 1/20 0.38
KMO O15229 2/20 0.37
ALDH1A1 P00352 4/20 0.37
TPMT P51580 1/20 0.37
MAPT P10636 2/20 0.36
VCAM1 P19320 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TTR P02766 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL774819 0.83 TSHR (0.65) TSHRSRD5A2KMOALDH1A1TPMT
SCHEMBL31226955 0.83 TSHR (0.43) TSHRSRD5A2KMOALDH1A1MAPT
SCHEMBL25779809 0.82 TPMT (0.39) TSHRALDH1A1TPMTCES2CES1
SCHEMBL2954394 0.81 PARP1 (0.49) TSHRALDH1A1MAPTKMT2A
SCHEMBL7262131 0.80 TPMT (0.38) TSHRSRD5A2ALDH1A1TPMTMAPT
SCHEMBL29514652 0.79 TSHR (0.67) TSHRSRD5A2KMOMAPTKDM4E
SCHEMBL110094 0.79 TSHR (0.67) TSHRSRD5A2KMOMAPTKDM4E
SCHEMBL4727563 0.78 TPMT (0.37) TSHRSRD5A2ALDH1A1TPMTCES2
SCHEMBL16675516 0.78 ESR1 (0.47) TSHRALDH1A1TPMTMAPTKDM4E
SCHEMBL21416753 0.78 HDAC1 (0.43) TSHRSRD5A2ALDH1A1TPMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102937-A1 PROCESSES FOR THE PREPARATION OF CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
US-12281060-B2 Remodilins for airway remodeling and organ fibrosis THE UNIVERSITY OF CHICAGO (US) 2025-04-22 US disclosed
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2024-12-19 US disclosed
US-20220177422-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS THE UNIVERSITY OF CHICAGO (US) 2022-06-09 US disclosed
US-20220040207-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2022-02-10 US disclosed
EP-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 EP disclosed
WO-2020206109-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS THE UNIVERSITY OF CHICAGO (US) 2020-10-08 WO disclosed
WO-2020206118-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2020-10-08 WO disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
WO-2016029776-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2016-03-03 WO disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
CN-1031378-C Combating insect infestation in rice ROHM & HAAS (US) 1996-03-27 CN disclosed
CN-1046835-A Go out and remove the method for rice insect pest ROHM & HAAS (US) 1990-11-14 CN 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 (6 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-20220040207-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A TSHR 3276/4885SRD5A2 2821/4885KMO 4540/4885
US-20220177422-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS MYLK, MFAP1, FIBP TSHR 3401/4885SRD5A2 4784/4885KMO 4751/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 TSHR 3222/4885SRD5A2 2262/4885KMO 78/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 TSHR 2958/4885SRD5A2 2444/4885KMO 87/4885
US-12281060-B2 Remodilins for airway remodeling and organ fibrosis MYLK, MFAP1, FIBP TSHR 3401/4885SRD5A2 4784/4885KMO 4751/4885
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A TSHR 3276/4885SRD5A2 2821/4885KMO 4540/4885

“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.