SCHEMBL408310

SCHEMBL408310

CC(C)(C)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
EPHX1 P07099 1/20 0.67
POLB P06746 2/20 0.63
HDAC3 O15379 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49

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
Fluoride SCHEMBL2310518 0.98 CYP2C9 (0.65) CYP2C9SMN1; SMN2EPHX1POLBHDAC3
Hydrochloric Acid SCHEMBL22076570 0.98 CYP2C9 (0.65) CYP2C9SMN1; SMN2EPHX1POLBHDAC3
SCHEMBL29201540 0.98 CYP2C9 (0.65) CYP2C9SMN1; SMN2EPHX1POLBHDAC3
Bromide SCHEMBL6851253 0.98 CYP2C9 (0.65) CYP2C9SMN1; SMN2EPHX1POLBHDAC3
Thiosulfuric Acid SCHEMBL11090482 0.89 CYP2C9 (0.56) CYP2C9SMN1; SMN2EPHX1POLBHDAC3
Thiosulfuric Acid SCHEMBL11090486 0.89 EPHX1 (0.60) CYP2C9SMN1; SMN2EPHX1POLBHDAC3
SCHEMBL17865779 0.88 LMNA (0.58) CYP2C9SMN1; SMN2EPHX1POLBHDAC1
SCHEMBL6416083 0.88 NPC1 (0.60) CYP2C9SMN1; SMN2EPHX1POLBGAA
SCHEMBL15946358 0.87 CACNA1B (0.67) SMN1; SMN2POLBLMNAHTTNPC1
SCHEMBL21249304 0.84 LMNA (0.58) CYP2C9SMN1; SMN2HDAC8HDAC6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504626-A Preparation method of diethyl hexyl butyryl amino triazinone 湖北汇达科技发展有限公司 2025-02-25 CN claimed
CN-111100080-B Preparation method of letrozole 南京亿华药业有限公司 2022-03-11 CN claimed
CN-111699250-A Carboxyesterase polypeptides for amide coupling 科德克希思公司 2020-09-22 CN claimed
US-20190177707-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US claimed
CN-104447391-B A kind of preparation method of di-2-ethylhexylphosphine oxide amide derivatives 苏州波菲特新材料科技有限公司 2016-07-06 CN claimed
CN-104447391-A Methylenebisamide derivative and preparation method thereof SUZHOU PERFECT NEW MATERIAL TECHNOLOGY CO LTD 2015-03-25 CN claimed
EP-2844637-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF PharmAxis Ltd (AU) 2015-03-11 EP claimed
WO-2013163675-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF PHARMAXIS LTD. (AU) 2013-11-07 WO claimed
EP-2639237-A1 A process for the manufacture of optically active phosphinamide Centrum Badan Molekularnych I Makromolekularnych Pan (PL) 2013-09-18 EP claimed
US-20100197954-A1 SYNTHESIS OF SPHINGOSINES AND THEIR DERIVATIVES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 US claimed
WO-2008030840-A2 SYNTHESIS OF SPHINGOSINES AND THEIR DERIVATIVES EMORY UNIVERSITY (US) 2008-03-13 WO claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP claimed
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP claimed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP claimed
US-5472983-A Neurodegenerative conditions associated with dopamine depletion, e.g. Alzheimer's, Parkinson's, multiple sclerosis, Huntington's amyltrophic lateral sclerosis and vision defects CENTAUR PHARMACEUTICALS, INC. (US) 1995-12-05 US claimed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 WO claimed
US-12286653-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2025-04-29 US disclosed
US-3883590-A Preparation of n-alkylarylcarboxamides UNIVERSAL OIL PROD CO 1975-05-13 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 (1 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-20100197954-A1 SYNTHESIS OF SPHINGOSINES AND THEIR DERIVATIVES SPHK1, SPHK2, S1PR2 CYP2C9 4869/4885SMN1; SMN2 999/4885EPHX1 865/4885

“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.