SCHEMBL17103205

SCHEMBL17103205

COc1ccccc1NC(=O)c1c(N)cccc1Sc1cc(C)cc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ GAA P10253 4/20 0.47
▸ CISD2 Q8N5K1 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ NCOR1 O75376 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44

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
SCHEMBL21301501 0.89 TSHR (0.50) SMN1; SMN2TSHRHSD17B10MAPTRXFP1
SCHEMBL17103184 0.84 RAB9A (0.50) SMN1; SMN2TSHRHSD17B10MAPTRXFP1
SCHEMBL29430118 0.81 MEN1 (0.53) SMN1; SMN2TSHRHSD17B10MAPTKMT2A
SCHEMBL17103173 0.81 MEN1 (0.53) SMN1; SMN2TSHRHSD17B10MAPTKMT2A
Hydrochloric Acid SCHEMBL17103200 0.81 MEN1 (0.52) SMN1; SMN2TSHRHSD17B10MAPTKMT2A
Sulfuric Acid SCHEMBL17103341 0.78 KMT2A (0.52) MAPTKMT2AALDH1A1
Sulfuric Acid SCHEMBL17103345 0.78 KMT2A (0.52) MAPTKMT2AALDH1A1
SCHEMBL17103178 0.77 KMT2A (0.48) SMN1; SMN2MAPTRXFP1GAACISD2
SCHEMBL21301504 0.77 HPGD (0.40) SMN1; SMN2TSHRHSD17B10MAPTRXFP1
SCHEMBL17228270 0.76 ALDH1A1 (0.48) MAPTGAAKMT2APOLBALDH1A1

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 SMN1; SMN2 1961/4885TSHR 4818/4885HSD17B10 1798/4885

“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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