SCHEMBL18048561

SCHEMBL18048561

COc1cccc(N[C@H]2C(=O)N(c3ccc(Br)cc3)C[C@@H]2CO)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.70
▸ POLB P06746 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.45
▸ RECQL P46063 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ ROCK1 Q13464 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
SCHEMBL18083919 1.00 ROCK2 (0.70) ROCK2POLBALDH1A1RECQLMEN1
SCHEMBL18048849 1.00 ROCK2 (0.70) ROCK2POLBALDH1A1RECQLMEN1
SCHEMBL18048704 0.84 ROCK2 (0.54) ROCK2POLBALDH1A1RECQLMEN1
SCHEMBL19864960 0.83 ROCK2 (1.00) ROCK2
SCHEMBL18048612 0.83 ROCK2 (1.00) ROCK2
SCHEMBL18048705 0.83 ROCK2 (1.00) ROCK2
SCHEMBL18048802 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL18048801 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21423161 0.72 ROCK2 (0.69) ROCK2POLBROCK1
SCHEMBL28829187 0.71 ROCK2 (1.00) ROCK2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 — — EP disclosed
US-10112929-B2 Lactams as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 — — US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 — — US disclosed
EP-3268360-A1 LACTAMS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-01-17 — — EP disclosed
WO-2016144936-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-15 — — WO 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA ROCK2 4/4885POLB 4302/4885ALDH1A1 3453/4885
US-10112929-B2 Lactams as inhibitors of rock MYLK, ROCK1, RHOA ROCK2 4/4885POLB 4133/4885ALDH1A1 3499/4885

“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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