SCHEMBL21101418

SCHEMBL21101418

COC(=O)c1ccc2cc(C(=O)NC(C)C)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.77
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL20612371 0.87 HDAC1 (0.58) HDAC1SMN1; SMN2POLBLMNATAS1R3
SCHEMBL1886093 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL24944333 0.86 HDAC1 (0.57) HDAC1SMN1; SMN2POLBLMNATAS1R3
SCHEMBL1886145 0.85 HDAC1 (0.80) HDAC1SMN1; SMN2LMNAHDAC3HDAC2
SCHEMBL1886911 0.84 HDAC1 (0.78) HDAC1SMN1; SMN2LMNAHDAC3HDAC2
SCHEMBL9612674 0.82 HDAC1 (0.76) HDAC1SMN1; SMN2LMNAHDAC3HDAC2
SCHEMBL13709548 0.82 HDAC1 (0.70) HDAC1SMN1; SMN2LMNAHDAC3HDAC2
SCHEMBL20612373 0.80 LMNA (0.54) HDAC1SMN1; SMN2POLBLMNATAS1R3
SCHEMBL8291868 0.80 HDAC1 (0.72) HDAC1SMN1; SMN2LMNAHDAC3HDAC2
SCHEMBL3579035 0.79 HDAC1 (0.65) HDAC1SMN1; SMN2HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HDAC1 2935/4885SMN1; SMN2 2820/4885POLB 4032/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 HDAC1 2414/4885SMN1; SMN2 2296/4885POLB 3414/4885

“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.