SCHEMBL9880835

SCHEMBL9880835

COC(=O)C(CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RPS6KA2 Q15349 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL24336380 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL23501434 0.89 ALDH1A1 (0.53) ALDH1A1CYP3A4KMT2AMAPT
SCHEMBL9880857 0.88 RPS6KA2 (0.50) RPS6KA2ALDH1A1KMT2AMEN1MAPT
SCHEMBL24032602 0.87 MMP2 (0.44) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL28670345 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMAPK1
SCHEMBL23501303 0.85 CYP3A4 (0.48) RPS6KA2ALDH1A1CYP3A4CYP2C19KMT2A
SCHEMBL112312 0.82 KMT2A (0.44) RPS6KA2ALDH1A1KMT2AMEN1THRB
SCHEMBL111864 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19KMT2AMEN1
SCHEMBL119084 0.81 ESR1 (0.42) ALDH1A1CYP3A4CYP2C19KMT2AMAPT
SCHEMBL20078696 0.81 KMT2A (0.42) RPS6KA2ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2016-09-22 US disclosed
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-8716310-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 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 (7 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-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885RPS6KA2 1349/4885ALDH1A1 1686/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885RPS6KA2 1349/4885ALDH1A1 1686/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885RPS6KA2 1349/4885ALDH1A1 1686/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885RPS6KA2 1349/4885ALDH1A1 1686/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885RPS6KA2 1349/4885ALDH1A1 1686/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 L3MBTL1 4222/4885RPS6KA2 1427/4885ALDH1A1 2864/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 L3MBTL1 4562/4885RPS6KA2 1349/4885ALDH1A1 1686/4885

“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.