SCHEMBL15845394

SCHEMBL15845394

CC1(C)c2ccccc2-c2c1c1c(-c3cc(Cl)ccc3[N+](=O)[O-])cccc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.39
▸ HSD11B1 P28845 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ CFTR P13569 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL15845417 0.88 ALDH1A1 (0.41) PGRMAPTHPGDMAPK1CFTR
SCHEMBL15845411 0.85 PGR (0.38) PGRHSD11B1MAPTPOLBSIRT2
SCHEMBL15845403 0.85 PGR (0.38) PGRHSD11B1MAPTPOLBSIRT2
SCHEMBL15845408 0.85 MAPT (0.40) PGRHSD11B1MAPTPOLBHPGD
SCHEMBL19501151 0.80 L3MBTL1 (0.40) HSD11B1MAPTPOLBHPGDMAPK1
SCHEMBL15845415 0.76 ALDH1A1 (0.41) PGRPOLBCFTRMEN1KMT2A
SCHEMBL15845375 0.76 ALDH1A1 (0.41) PGRMAPTPOLBCFTRMEN1
SCHEMBL25491687 0.76 MAPT (0.40) HSD11B1MAPTPOLBHPGDMAPK1
SCHEMBL15845382 0.74 KMT2A (0.39) PGRHSD11B1MAPTPOLBHPGD
SCHEMBL15845405 0.72 ALDH1A1 (0.40) PGRMAPTPOLBHPGDSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140369931-A1 PSMA-BINDING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-18 — — US disclosed
WO-2014104665-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
WO-2014104665-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-07-03 — — 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 (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-20140369931-A1 PSMA-BINDING AGENTS AND USES THEREOF KLK3, FOLH1, DNPEP PGR 254/4885HSD11B1 4059/4885MAPT 1390/4885

“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.

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