SCHEMBL17103330

SCHEMBL17103330

COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.68
▸ ALDH1A1 P00352 4/20 0.60
▸ PKM P14618 2/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ MAOB P27338 1/20 0.57
▸ KCNMA1 Q12791 2/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL17103194 0.92 RORC (0.58) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL2954791 0.91 ALDH1A1 (0.65) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL29397255 0.91 ALDH1A1 (0.65) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL17103193 0.91 RORC (0.57) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL17103179 0.90 RORC (0.56) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL17103191 0.90 RORC (0.58) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL17103212 0.89 RORC (0.55) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL21301503 0.89 RORC (0.54) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL17103219 0.86 KMT2A (0.52) RORCALDH1A1PKMCRHBPCRHR2
SCHEMBL13265946 0.85 TSHR (0.62) RORCALDH1A1PKMCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2924021-B1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF UNIV SICHUAN (CN) 2019-08-28 — — EP disclosed
EP-2924021-B1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF UNIV SICHUAN (CN) 2019-08-28 — — EP disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 — — US disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 — — US disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 — — US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — US disclosed
EP-2924021-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan University (CN) 2015-09-30 — — 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-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF FURIN, CD4, SI RORC 1024/4885ALDH1A1 786/4885PKM 2187/4885

“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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