SCHEMBL547207

SCHEMBL547207

C[C@H](N=C=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 2/20 0.38

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
SCHEMBL29450615 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1330646 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29648886 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29450632 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL714591 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7532913 0.92 MIF (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7532922 0.92 MIF (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL331134 0.82 MIF (0.39) ALDH1A1CYP1A2LMNA
SCHEMBL8850662 0.82 AKR1B1 (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL3886974 0.82 MIF (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
JP-6157488-A None JP disclosed
US-11760750-B1 Process for preparing levoketoconazole NURAY CHEMICALS PRIVATE LIMITED (IN) 2023-09-19 US disclosed
US-20210228508-A1 COMPOSITIONS AND METHODS THEREOF Exciva GmbH 2021-07-29 US disclosed
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 US disclosed
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF EXCIVA (UG) (haftungsbeschränkt) (DE) 2019-06-20 US disclosed
CN-108529478-A A kind of nonabradable towing winch tape spool 金华市邀特科技有限公司 2018-09-14 CN disclosed
CN-108483300-A The nonabradable towing winch of brake ribbon 金华市邀特科技有限公司 2018-09-04 CN disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 US disclosed
US-4952694-A Novel resolution process for racemic spiro-hydantoins PFIZER INC. (US) 1990-08-28 US disclosed
WO-1990005729-A1 QUINUCLIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1990-05-31 WO disclosed
US-4925839-A Novel antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-05-15 US disclosed
US-4855323-A Leukotriene antagonists, a process for the preparation thereof, and the use thereof for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
US-4851440-A ASTHMA HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
EP-0314446-A2 Novel antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-03 EP disclosed
US-4734367-A OPTICALLY ACTIVE INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1988-03-29 US disclosed
US-4276230-A Cyano-3-phenoxybenzyl N-1-(1-naphthyl) ethylcarbamate ZOECON CORPORATION (US) 1981-06-30 US disclosed
US-4259348-A DIASTEREOMERS, INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-03-31 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 (5 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-20210228508-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP2C19, CYP2F1 ALDH1A1 289/4885CYP1A2 15/4885CYP2C9 4/4885
US-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR ALDH1A1 1976/4885CYP1A2 2517/4885CYP2C9 2282/4885
US-20190183885-A1 COMPOSITIONS AND METHODS THEREOF CYP21A2, CYP11B2, CYP2D6 ALDH1A1 2020/4885CYP1A2 16/4885CYP2C9 11/4885
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR ALDH1A1 1976/4885CYP1A2 2517/4885CYP2C9 2282/4885
US-11760750-B1 Process for preparing levoketoconazole KHK, KYAT3, PLK3 ALDH1A1 2659/4885CYP1A2 209/4885CYP2C9 108/4885

“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.