SCHEMBL6977792

SCHEMBL6977792

COc1cc(N)cc(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CYP19A1 P11511 3/20 0.44
NQO2 P16083 1/20 0.44
TUBB1 Q9H4B7 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL191996 0.85 ACHE (0.59) ACHECYP19A1NQO2TUBB1TUBB4A
SCHEMBL655455 0.85 ALDH1A1 (0.43) ACHECYP19A1NQO2TUBB1TUBB4A
Hydrochloric Acid SCHEMBL8931696 0.83 ALDH1A1 (0.41) ACHECYP19A1NQO2TUBB1TUBB4A
Hydrochloric Acid SCHEMBL4381078 0.83 ACHE (0.56) ACHECYP19A1NQO2TUBB1TUBB4A
Ammonia Solution, Strong SCHEMBL4946565 0.83 ACHE (0.56) ACHECYP19A1NQO2TUBB1TUBB4A
SCHEMBL5161298 0.79 MAPT (0.43) ACHEMAPTCYP3A4GAAKDM4E
SCHEMBL2529901 0.79 ACHE (0.46) ACHECYP19A1NQO2TUBB1TUBB4A
SCHEMBL525275 0.79 GAA (0.42) ACHETUBB1MAPTCYP3A4GAA
SCHEMBL21264353 0.79 MAPT (0.47) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL2025462 0.79 CASP1 (0.41) ACHECYP19A1NQO2TUBB1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
US-20230234963-A1 ARYL RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME NOGRA PHARMA LIMITED (IE) 2023-07-27 US disclosed
US-20170342088-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-11-30 US disclosed
US-20170158707-A1 ARYL RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME NOGRA PHARMA LIMITED (IE) 2017-06-08 US disclosed
US-20170062740-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2017-03-02 US disclosed
US-9525146-B2 Organic semiconductor compositions SMARTKEM LIMITED (GB) 2016-12-20 US disclosed
US-20140131689-A1 ORGANIC SEMICONDUCTOR COMPOSITIONS SMARTKEM LIMITED (GB) 2014-05-15 US disclosed
US-8629132-B2 Kinase inhibitors GENOSCO (US) 2014-01-14 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP disclosed
US-20110281841-A1 Kinase Inhibitors OSCOTEC, INC. (KR) 2011-11-17 US disclosed
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 WO disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 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-20170342088-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME ULK1, ULK2, ULK3 ACHE 4859/4885CYP19A1 4344/4885NQO2 2300/4885
US-20170158707-A1 ARYL RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME AHR, IL23R, IL2RA ACHE 4531/4885CYP19A1 387/4885NQO2 895/4885
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 ACHE 2980/4885CYP19A1 42/4885NQO2 1124/4885
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 ACHE 980/4885CYP19A1 4786/4885NQO2 1192/4885
US-20110281841-A1 Kinase Inhibitors LCK, PDK1, MAP3K11 ACHE 3077/4885CYP19A1 2172/4885NQO2 2286/4885
US-20230234963-A1 ARYL RECEPTOR MODULATORS AND METHODS OF MAKING AND USING THE SAME AHR, IL23R, IL2RA ACHE 4531/4885CYP19A1 387/4885NQO2 895/4885

“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.