SCHEMBL21100835

SCHEMBL21100835

CC(C)NC(=O)c1ccc2ccsc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.48
HTR3A P46098 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
MLYCD O95822 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.42
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGDS O60760 1/20 0.41

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
Hydrochloric Acid SCHEMBL4085356 0.81 CHRNA7 (0.50) CHRNA7HTR3AHTR3EHTR3BCHRNB4
Hydrochloric Acid SCHEMBL4095159 0.81 CHRNA7 (0.50) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL7470459 0.80 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL31483497 0.79 HDAC1 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL3799281 0.79 HDAC1 (0.55) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL24197994 0.77 HTR1B (0.54) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL25569908 0.77 HTR1B (0.54) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL25569907 0.77 HTR1B (0.54) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL9688589 0.77 KDM4E (0.49) CHRNA7HTR3AHTR3EHTR3BCHRNB4
SCHEMBL3797885 0.76 CA2 (0.49) CHRNA7HTR3AHTR3EHTR3BCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 US 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CHRNA7 2969/4885HTR3A 4353/4885HTR3E 4480/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 CHRNA7 2561/4885HTR3A 4118/4885HTR3E 4111/4885

“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.