SCHEMBL4538114

SCHEMBL4538114

NNc1cc(Cl)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
GRIK1 P39086 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
CXCR2 P25025 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 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
Hydrochloric Acid SCHEMBL4772017 0.98 IDO1 (0.39) IDO1GRIK1MAPTGAACXCR2
SCHEMBL12425149 0.82 CA1 (0.41) IDO1MAPTGAACXCR2CA1
SCHEMBL30462809 0.82 CA1 (0.41) IDO1MAPTGAACXCR2CA1
Hydrochloric Acid SCHEMBL30462857 0.80 CA1 (0.40) IDO1MAPTGAACXCR2CA1
Hydrochloric Acid SCHEMBL2301788 0.80 CA1 (0.40) IDO1MAPTGAACXCR2CA1
SCHEMBL9983346 0.76 HSP90AA1 (0.41) MAPTGAACA1CA2CA9
SCHEMBL29710420 0.76 IDO1 (0.57) IDO1MAPTCA1CA2CA9
SCHEMBL1132624 0.76 IDO1 (0.57) IDO1MAPTCA1CA2CA9
Hydrochloric Acid SCHEMBL30514444 0.76 ALDH1A1 (0.43) GRIK1MAPTGAACXCR2ALDH1A1
Bromide SCHEMBL20984192 0.74 HSP90AA1 (0.39) MAPTGAACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 WO disclosed
US-20240309038-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2024-09-19 US disclosed
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 CN disclosed
EP-4267568-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2023-11-01 EP disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
WO-2022144274-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-07-07 WO disclosed
WO-2022144274-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-07-07 WO disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
WO-2020250961-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE USING SAME 出光興産株式会社 2020-12-17 WO disclosed
CN-111247648-A Heterocyclic compound and organic light-emitting device comprising the same 喜星素材株式会社 2020-06-05 CN disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
WO-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
CN-101268075-A Substituted tetrahydro-1H-pyrido[4,3-B]indoles as serotonin receptors agonists and antagonists BRISTOL MYERS SQUIBB CO (US) 2008-09-17 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 (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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C IDO1 908/4885GRIK1 196/4885MAPT 3117/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 IDO1 864/4885GRIK1 654/4885MAPT 3374/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 IDO1 742/4885GRIK1 615/4885MAPT 3361/4885
US-20240309038-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS3, LGALS1, LGALS3BP IDO1 785/4885GRIK1 380/4885MAPT 2329/4885

“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.