SCHEMBL5089606

SCHEMBL5089606

CNNC(=O)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 1/20 0.57
CNR2 P34972 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
PLAU P00749 1/20 0.53
ELANE P08246 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
AKR1B1 P15121 1/20 0.52

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
Hydrochloric Acid SCHEMBL27604835 0.98 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL7107935 0.87 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL29148895 0.83 MEN1 (0.72) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL60236 0.83 MEN1 (0.65) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL27992771 0.82 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL9061005 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL14647889 0.82 MEN1 (0.65) ALDH1A1MEN1KMT2AHDAC8HDAC6
Hydrochloric Acid SCHEMBL6208128 0.81 MEN1 (0.63) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL9563921 0.81 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AHDAC8HDAC6
SCHEMBL11337600 0.81 MEN1 (0.63) ALDH1A1MEN1KMT2AHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed
WO-2021104486-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-06-03 WO disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 US disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
WO-2014022454-A1 ORGANOCATALYTIC CARBONYL-OLEFIN AND OLEFIN-OLEFIN METATHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-06 WO disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
US-3979384-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-09-07 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 (4 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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ALDH1A1 4263/4885MEN1 3639/4885KMT2A 3349/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ALDH1A1 4263/4885MEN1 3639/4885KMT2A 3349/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ALDH1A1 4263/4885MEN1 3639/4885KMT2A 3349/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA ALDH1A1 2595/4885MEN1 2638/4885KMT2A 3397/4885

“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.