SCHEMBL9880933

SCHEMBL9880933

CC(C)(C)c1ccc2c(Cl)nccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
NR1I2 O75469 1/20 0.39
GRM4 Q14833 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
KIF11 P52732 3/20 0.35
ALDH1A1 P00352 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
PARG Q86W56 1/20 0.34
METAP2 P50579 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAP4K4 O95819 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL15911757 0.88 LMNA (0.56) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL15847272 0.88 LMNA (0.56) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL24147138 0.85 TDP1 (0.42) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL25866459 0.83 TDP1 (0.36) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL30450234 0.82 NOS3 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL20595229 0.82 NOS3 (0.43) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL15893211 0.81 LMNA (0.56) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL19256875 0.81 TDP1 (0.34) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL803133 0.80 CYP2A6 (0.50) LMNANR1I2KIF11ALDH1A1HPGD
SCHEMBL4548612 0.80 GRM4 (0.44) LMNACYP3A4NR1I2GRM4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227485-A1 METAL IRIDIUM COMPLEX AND USE THEREOF GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2023-07-20 US disclosed
WO-2021258875-A1 METAL IRIDIUM COMPLEX AND USE THEREOF 广东阿格蕾雅光电材料有限公司 2021-12-30 WO 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-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
EP-2872590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-11-14 EP 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-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 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
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 WO 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 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 LMNA 4436/4885CYP3A4 2252/4885MAPT 1084/4885
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 LMNA 1765/4885CYP3A4 1719/4885MAPT 412/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 LMNA 3199/4885CYP3A4 3340/4885MAPT 66/4885
US-20230227485-A1 METAL IRIDIUM COMPLEX AND USE THEREOF IK, INTS9, CYBA LMNA 3025/4885CYP3A4 1506/4885MAPT 652/4885

“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.