SCHEMBL113082

SCHEMBL113082

O=C(CCN(C(=O)O)c1ccc(O)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.52
IMPDH2 P12268 3/20 0.50
ROCK1 Q13464 5/20 0.49
PRMT3 O60678 4/20 0.47
NOTUM Q6P988 4/20 0.47

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
SCHEMBL16056718 0.90 ROCK2 (0.56) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL115009 0.89 ROCK2 (0.53) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL2779492 0.86 ROCK2 (0.46) ROCK2IMPDH2PRMT3NOTUM
SCHEMBL112509 0.85 NOTUM (0.46) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL113436 0.84 IMPDH2 (0.47) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL112926 0.82 NOTUM (0.51) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL114094 0.81 LTA4H (0.49) ROCK2IMPDH2ROCK1NOTUM
SCHEMBL113964 0.78 IMPDH2 (0.46) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL16040568 0.77 ROCK2 (0.49) ROCK2IMPDH2ROCK1PRMT3NOTUM
SCHEMBL2776089 0.76 ROCK2 (0.47) ROCK2IMPDH2ROCK1PRMT3NOTUM

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2020-05-19 US disclosed
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2020-04-30 US disclosed
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20180244666-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-30 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-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 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 (11 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-20180244666-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ROCK2 2/4885IMPDH2 179/4885ROCK1 6/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885IMPDH2 236/4885ROCK1 10/4885

“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.