SCHEMBL111864

SCHEMBL111864

COC(=O)C(CN1C(=O)c2ccccc2C1=O)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.40
BRCA1 P38398 1/20 0.40
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9880835 0.81 L3MBTL1 (0.48) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL22002161 0.81 NPC1 (0.44) KMT2AMEN1THRBNPC1
SCHEMBL23501434 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTPOLBCYP3A4
SCHEMBL24336380 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL14928818 0.78 ALDH1A1 (0.41) ALDH1A1KMT2APOLB
SCHEMBL9880857 0.78 RPS6KA2 (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL14911465 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL24032602 0.77 MMP2 (0.44) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL14931121 0.76 CTSS (0.41) ALDH1A1KMT2AMEN1THRB
SCHEMBL10683115 0.76 CHRNB2 (0.43) ALDH1A1KMT2AMAPTMEN1

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 125 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-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 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
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US 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
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-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010011853-A2 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-01-28 WO disclosed
WO-2010011853-A2 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-01-28 WO disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885KMT2A 3013/4885MAPT 66/4885
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ALDH1A1 1626/4885KMT2A 1186/4885MAPT 2515/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885KMT2A 3013/4885MAPT 66/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885KMT2A 3013/4885MAPT 66/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 ALDH1A1 1626/4885KMT2A 1186/4885MAPT 2515/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ALDH1A1 1686/4885KMT2A 3013/4885MAPT 66/4885
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 ALDH1A1 1626/4885KMT2A 1186/4885MAPT 2515/4885

“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.