SCHEMBL7426643

SCHEMBL7426643

NC(CNC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
HTT P42858 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
PLAU P00749 1/20 0.49
SYK P43405 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
GFER P55789 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL12879321 1.00 LMNA (0.55) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL5019077 0.86 LMNA (0.59) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7431205 0.85 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL10705141 0.83 SLC1A1 (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL29398484 0.83 SLC1A3 (0.58) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7375139 0.83 SLC1A1 (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL4431806 0.83 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL15317909 0.83 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL13569333 0.83 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL4430839 0.83 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640242-B1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN LTD (CN) 2023-04-19 EP disclosed
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
CN-109134433-B Compound for inhibiting ROCK and application thereof 成都先导药物开发股份有限公司 2021-05-25 CN disclosed
CN-109134367-B Compound for inhibiting ROCK and application thereof 成都先导药物开发股份有限公司 2020-10-02 CN disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 US disclosed
EP-3640242-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF Hitgen Ltd. (CN) 2020-04-22 EP disclosed
US-4709032-A VASODILATION AND HYPOTENSIVE AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 US disclosed
US-4634770-A VASODILATORS, HYPOTENSIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
US-4560755-A VASODILATOR, HYPOTENSOR ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0109023-A1 Isoquinolinesulfonamide derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-05-23 EP disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 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 (2 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-11078161-B2 Rock-inhibiting compound and uses thereof ROCK1, ROCK2, RHOA LMNA 2263/4885SMN1; SMN2 3309/4885SLC1A3 3256/4885
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF ROCK1, ROCK2, RHOA LMNA 2263/4885SMN1; SMN2 3309/4885SLC1A3 3256/4885

“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.