SCHEMBL24929461

SCHEMBL24929461

Nc1c(Cl)cc(Br)cc1I

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA9 Q16790 5/20 0.48
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
NMT1 P30419 1/20 0.35
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1004957 0.82 CYP3A4 (0.58) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL18076660 0.82 CA1 (0.44) CA1CA2CA9ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8367686 0.79 CYP3A4 (0.55) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL20670572 0.76 CA1 (0.48) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL6217810 0.75 CA1 (0.54) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL17488259 0.75 ALDH1A1 (0.43) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL2766389 0.75 CA1 (0.52) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL14318817 0.75 CYP3A4 (0.65) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL18935964 0.75 CA1 (0.52) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL19723645 0.75 CA1 (0.54) CA1CA2CA9ALDH1A1CYP3A4

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
US-20230357209-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2023-11-09 US disclosed
US-20230357209-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2023-11-09 US disclosed
EP-4238969-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-09-06 EP disclosed
CN-111269219-B Organic luminescent material and organic electroluminescent device 烟台显华化工科技有限公司 2023-05-30 CN disclosed
WO-2023008795-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2023-02-02 WO disclosed
CN-111269219-A Organic light-emitting material and organic electroluminescent device 烟台显华化工科技有限公司 2020-06-12 CN disclosed
CN-105523885-A Preparation method for 1-chloro-3-bromo-5-iodobenzene SHANGHAI HUAXIAN NEW MAT TECH CO LTD 2016-04-27 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 (1 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-20230357209-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, ODC1 CA1 3420/4885CA2 4489/4885CA9 2102/4885

“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.