SCHEMBL828241

SCHEMBL828241

CN(C)C(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
HSD17B10 Q99714 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HPGD P15428 2/20 0.64
ENPP2 Q13822 2/20 0.64
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TYR P14679 1/20 0.47
MAPT P10636 3/20 0.47
GHSR Q92847 2/20 0.47
ESR1 P03372 3/20 0.46
MAOA P21397 2/20 0.46
ALOX12 P18054 1/20 0.45
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2A6 P11509 1/20 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
SCHEMBL827433 0.86 RAB9A (0.54) ALDH1A1HSD17B10KDM4EHPGDENPP2
Hydrochloric Acid SCHEMBL19211742 0.85 RAB9A (0.53) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL30440183 0.84 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL217685 0.84 ALDH1A1 (0.57) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL30954329 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL5484862 0.82 OPRM1 (0.60) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL7884484 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EHPGDENPP2
Hydrochloric Acid SCHEMBL7885091 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL121922 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10KDM4EHPGDENPP2
SCHEMBL2926458 0.79 POLB (0.55) ALDH1A1HSD17B10KDM4EHPGDENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118318033-A Cell aggregate comprising pituitary hormone-producing cells and method for producing the same 住友制药株式会社 2024-07-09 CN disclosed
CN-118043447-A Method for preparing cell population containing pituitary tissue and cell population 住友化学株式会社 2024-05-14 CN disclosed
CN-115650985-A Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2023-01-31 CN disclosed
CN-109195972-B Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2022-10-28 CN disclosed
US-10954241-B2 Heterocyclic compounds as ret kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-03-23 US disclosed
US-10844067-B2 Heterocyclic compounds as RET kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-11-24 US disclosed
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-20190263819-A1 HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-08-29 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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 (8 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 ALDH1A1 886/4885HSD17B10 1760/4885KDM4E 2535/4885
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R ALDH1A1 2632/4885HSD17B10 2328/4885KDM4E 2069/4885
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS ALDH1A1 3867/4885HSD17B10 2772/4885KDM4E 2745/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ALDH1A1 3867/4885HSD17B10 2772/4885KDM4E 2745/4885
US-20190263819-A1 HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, HIPK4, HIPK3 ALDH1A1 3254/4885HSD17B10 2507/4885KDM4E 937/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885HSD17B10 1817/4885KDM4E 1119/4885
US-10954241-B2 Heterocyclic compounds as ret kinase inhibitors RET, REL, BCR ALDH1A1 3019/4885HSD17B10 2544/4885KDM4E 977/4885
US-10844067-B2 Heterocyclic compounds as RET kinase inhibitors RET, HIPK4, HIPK3 ALDH1A1 3254/4885HSD17B10 2507/4885KDM4E 937/4885

“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.