SCHEMBL17103196

SCHEMBL17103196

COc1cc(N)ccc1NC(=O)c1c(N)cccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ PKM P14618 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KCNMA1 Q12791 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL17228270 0.92 ALDH1A1 (0.48) ALDH1A1PKMMAPTTDP1KCNMA1
SCHEMBL17122561 0.92 KMT2A (0.55) ALDH1A1PKMMAPTTDP1KCNMA1
SCHEMBL29430118 0.89 MEN1 (0.53) ALDH1A1PKMMAPTTDP1KCNMA1
SCHEMBL17103173 0.89 MEN1 (0.53) ALDH1A1PKMMAPTTDP1KCNMA1
SCHEMBL17228266 0.89 ALDH1A1 (0.51) ALDH1A1PKMMAPTTDP1KCNMA1
Hydrochloric Acid SCHEMBL17103200 0.89 MEN1 (0.52) ALDH1A1PKMMAPTTDP1KCNMA1
Sulfuric Acid SCHEMBL17103341 0.86 KMT2A (0.52) ALDH1A1PKMMAPTTDP1CRHBP
Sulfuric Acid SCHEMBL17103345 0.86 KMT2A (0.52) ALDH1A1PKMMAPTTDP1CRHBP
SCHEMBL17103579 0.81 RAB9A (0.45) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL21301501 0.81 TSHR (0.50) ALDH1A1MAPTHTTGAASMN1; SMN2

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 10 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
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 ALDH1A1 786/4885PKM 2187/4885MAPT 3953/4885

“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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