SCHEMBL19256875

SCHEMBL19256875

CCCC(C)(C)c1ccc2c(Cl)nccc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
PMP22 Q01453 1/20 0.34
CNR2 P34972 6/20 0.33
GRM4 Q14833 4/20 0.33
CNR1 P21554 3/20 0.33
HIPK2 Q9H2X6 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PARG Q86W56 1/20 0.30

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
SCHEMBL24147138 0.89 TDP1 (0.42) TDP1LMNACYP3A4MAPTAPEX1
SCHEMBL19257090 0.84 CYP2A6 (0.42) CNR2GRM4CNR1
SCHEMBL19257092 0.82 GRM4 (0.34) CNR2GRM4CNR1MKNK1MKNK2
SCHEMBL25866459 0.82 TDP1 (0.36) TDP1LMNACYP3A4MAPTAPEX1
SCHEMBL9880933 0.81 LMNA (0.40) TDP1LMNACYP3A4MAPTAPEX1
SCHEMBL30450234 0.74 NOS3 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL20595229 0.74 NOS3 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL21719254 0.74 RECQL (0.39) TDP1CNR2CNR1MKNK1MKNK2
SCHEMBL24791368 0.74 ROCK1 (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL19256970 0.72 CNR2 (0.38) CNR2CNR1

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
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-02 US disclosed
US-9951059-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 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 (3 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-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 TDP1 890/4885LMNA 3199/4885CYP3A4 3340/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 TDP1 890/4885LMNA 3199/4885CYP3A4 3340/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 TDP1 890/4885LMNA 3199/4885CYP3A4 3340/4885

“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.