SCHEMBL17103184

SCHEMBL17103184

COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HDAC1 Q13547 2/20 0.48
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ P4HTM Q9NXG6 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ MLYCD O95822 1/20 0.44
▸ HDAC3 O15379 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 0.90 TSHR (0.50) RAB9AKMT2ALMNAHDAC1TSHR
SCHEMBL29430118 0.85 MEN1 (0.53) KMT2ATSHRSMN1; SMN2HSD17B10MAPT
SCHEMBL17103173 0.85 MEN1 (0.53) KMT2ATSHRSMN1; SMN2HSD17B10MAPT
SCHEMBL17103205 0.84 SMN1; SMN2 (0.48) RAB9AKMT2AHDAC1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL17103200 0.84 MEN1 (0.52) KMT2ATSHRSMN1; SMN2HSD17B10MAPT
Sulfuric Acid SCHEMBL17103341 0.81 KMT2A (0.52) KMT2AMAPTTDP1ALDH1A1MEN1
Sulfuric Acid SCHEMBL17103345 0.81 KMT2A (0.52) KMT2AMAPTTDP1ALDH1A1MEN1
SCHEMBL17103211 0.78 KMT2A (0.53) RAB9AKMT2ALMNAHDAC1P4HTM
SCHEMBL21301504 0.78 HPGD (0.40) KMT2AHDAC1TSHRSMN1; SMN2HSD17B10
SCHEMBL21301492 0.77 MEN1 (0.48) KMT2ALMNATSHRSMN1; SMN2HSD17B10

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 RAB9A 1499/4885KMT2A 3442/4885LMNA 1084/4885

“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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