SCHEMBL8780508

SCHEMBL8780508

Nc1c(Cl)cc(Cl)c(N)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 2/20 0.50
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 1/20 0.33
AHR P35869 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 2/20 0.32
CD44 P16070 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 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
SCHEMBL11440207 0.86 CYP3A4 (0.43) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL8780502 0.86 CA1 (0.48) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL22862294 0.82 ALDH1A1 (0.40) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL8215145 0.78 CA1 (0.42) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL1004957 0.75 CYP3A4 (0.58) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL27303182 0.75 CD44 (0.39) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL2593530 0.73 CYP3A4 (0.56) CYP3A4ALDH1A1CA1CA2CA9
Hydrochloric Acid SCHEMBL8367686 0.73 CYP3A4 (0.55) CYP3A4ALDH1A1CA1CA2CA9
SCHEMBL24703324 0.70 CYP2A6 (0.40) CYP3A4ALDH1A1CA1CA2POLB
SCHEMBL14460188 0.70 CA1 (0.36) CYP3A4ALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 US disclosed
US-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 US disclosed
EP-0477440-B1 Self-locking agent THREE BOND CO LTD (JP) 1997-12-03 EP disclosed
US-5352308-A Self-locking agent THREE BOND CO., LTD. (JP) 1994-10-04 US disclosed
EP-0477440-A1 Self-locking agent THREE BOND CO., LTD. (JP) 1992-04-01 EP 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-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CYP1A1, AOX1, CRY1 CYP3A4 26/4885ALDH1A1 12/4885CA1 3215/4885

“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.