SCHEMBL17207336

SCHEMBL17207336

O=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1cccc2c1sc1c(Br)cccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ EIF4E P06730 8/20 0.38
▸ THRB P10828 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ABCC1 P33527 3/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ S1PR1 P21453 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
SCHEMBL14653421 0.85 ALOX5 (0.47) CRHBPCRHR2TDP1ALDH1A1EIF4E
SCHEMBL26536408 0.83 ALOX5 (0.45) CRHBPCRHR2TDP1ALDH1A1EIF4E
SCHEMBL17044595 0.79 ALOX5 (0.46) CRHBPCRHR2ALDH1A1THRBMAPT
SCHEMBL14653392 0.78 ALDH1A1 (0.62) CRHBPCRHR2TDP1ALDH1A1EIF4E
SCHEMBL17416271 0.77 MAPK1 (0.48) CRHBPCRHR2ALDH1A1MAPT
SCHEMBL2816974 0.77 CRHBP (0.61) CRHBPCRHR2TDP1ALDH1A1EIF4E
SCHEMBL15860099 0.77 ALDH1A1 (0.51) CRHBPCRHR2TDP1ALDH1A1EIF4E
SCHEMBL15791110 0.76 TDP1 (0.53) CRHBPCRHR2TDP1ALDH1A1MAPT
SCHEMBL11933061 0.76 TDP1 (0.53) TDP1ALDH1A1MAPT
SCHEMBL26536499 0.76 CRHBP (0.41) CRHBPCRHR2TDP1ALDH1A1EIF4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 — — US disclosed
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 — — US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 — — US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 — — US 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-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER EMC2, AOC2, MCM5 CRHBP 4571/4885CRHR2 4422/4885TDP1 1484/4885

“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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