SCHEMBL9880940

SCHEMBL9880940

CC(C)(C)c1ccc2cncc(Cl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
ALDH1A1 P00352 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL19256877 0.81 CNR2 (0.34) SLC22A12
SCHEMBL9880944 0.80 TRPV1 (0.38) KIF11ALDH1A1SLC22A12HPGDALOX15
SCHEMBL17811246 0.80 NR1I2 (0.40) KIF11ALDH1A1SLC22A12MAPTHPGD
SCHEMBL9880941 0.79 ALOX5AP (0.42) KIF11ALDH1A1SLC22A12HPGDALOX15
SCHEMBL15469646 0.79 ALDH1A1 (0.47) KIF11ALDH1A1SLC22A12MAPTHPGD
SCHEMBL21018477 0.76 TRPV1 (0.38) KIF11ALDH1A1SLC22A12HPGDALOX15
SCHEMBL15047853 0.76 LMNA (0.47) ALDH1A1MAPTNPSR1TDP1IMPDH2
SCHEMBL26029159 0.74 CYP2A6 (0.48) KIF11ALDH1A1MAPTNPSR1HPGD
SCHEMBL17437066 0.73 EGFR (0.46) ALDH1A1MAPTHSD17B10IMPDH2
SCHEMBL2231162 0.72 NT5E (0.42) ALDH1A1MAPTCYP2C19IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-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-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 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 (13 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 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 KIF11 2903/4885ALDH1A1 2864/4885SLC22A12 941/4885
US-20160272589-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KIF11 1383/4885ALDH1A1 1686/4885SLC22A12 668/4885

“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.