SCHEMBL175094

SCHEMBL175094

COC(=O)C(CN1C(=O)c2ccccc2C1=O)c1ccc(CO[Si](C)(C)C(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL24050249 0.84 ALDH1A1 (0.37) ALDH1A1KMT2ATSHR
SCHEMBL13065782 0.83 MAPK1 (0.41) ALDH1A1MAPK1KMT2AMAPT
SCHEMBL23501475 0.82 ESR1 (0.41) ALDH1A1MAPK1CYP2D6CYP2C9HTT
SCHEMBL13021616 0.78 ROCK2 (0.46)
SCHEMBL175760 0.75 LMNA (0.37) ALDH1A1MAPK1CYP2D6KMT2AHSD17B10
SCHEMBL23501385 0.73 MAPK1 (0.43) ALDH1A1MAPK1CYP2D6CYP2C9KMT2A
SCHEMBL175761 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1CYP2D6CYP2C9RXFP1
SCHEMBL8932545 0.70 KMT2A (0.56) ALDH1A1MAPK1RXFP1KMT2AMAPT
SCHEMBL9880835 0.69 L3MBTL1 (0.48) ALDH1A1MAPK1KMT2AMAPT
SCHEMBL22572473 0.68 ADRA2C (0.40) CYP2D6CYP2C9

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 62 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-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
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-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
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-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
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
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US 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
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME 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 (6 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 ALDH1A1 1686/4885MAPK1 221/4885CYP2D6 2180/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885MAPK1 221/4885CYP2D6 2180/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885MAPK1 221/4885CYP2D6 2180/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885MAPK1 221/4885CYP2D6 2180/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ALDH1A1 2864/4885MAPK1 462/4885CYP2D6 1592/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885MAPK1 221/4885CYP2D6 2180/4885

“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.