SCHEMBL714353

SCHEMBL714353

CCOC(=O)CNC(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.57
TP53 P04637 2/20 0.56
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
TBXAS1 P24557 1/20 0.53
GAA P10253 1/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 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
SCHEMBL290125 0.87 THRB (0.69) THRBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9220330 0.85 THRB (0.71) THRBMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9314629 0.85 THRB (0.58) THRBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL15592299 0.84 CYP1A2 (0.66) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL29424617 0.83 TBXAS1 (0.57) THRBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1221369 0.82 RAB9A (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3864600 0.82 THRB (0.75) THRBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13545150 0.81 THRB (0.69) THRBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL81386 0.81 PLOD2 (0.61) MEN1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL8403704 0.80 THRB (0.73) THRBMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117835982-A Modified release type nicorandil compound preparation 奥克西利斯制药有限公司 2024-04-05 CN disclosed
US-20230355550-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2023-11-09 US disclosed
US-11753378-B2 Ketamine compounds and processes for making and using them ZEVRA THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM ALTER DOMUS (US) LLC 2022-11-03 US disclosed
US-11174229-B2 D-amphetamine compounds, compositions, and processes for making and using the same KEMPHARM, INC. (US) 2021-11-16 US disclosed
US-20200129497-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2020-04-30 US disclosed
US-8586638-B2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY, LTD (JP) 2013-11-19 US disclosed
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-10-04 US disclosed
EP-2491981-A2 Parakeratosis inhibitor and external composition for skin SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
EP-2491980-A2 Parakeratosis inhibitor and skin preparation for external use SHISEIDO COMPANY LIMITED (JP) 2012-08-29 EP disclosed
US-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE SHISEIDO COMPANY, LTD. (JP) 2012-03-01 US disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use SHISEIDO COMPANY LTD. (JP) 2007-09-27 US disclosed
EP-1688126-A1 PARAKERATOSIS INHIBITOR AND EXTERNAL COMPOSITION FOR SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-09 EP 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-20120053243-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, DNPEP THRB 4594/4885MEN1 3026/4885KMT2A 1731/4885
US-11753378-B2 Ketamine compounds and processes for making and using them OPRK1, GRIK3, GRIN3B THRB 3203/4885MEN1 4515/4885KMT2A 2103/4885
US-20230355550-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B THRB 3203/4885MEN1 4515/4885KMT2A 2103/4885
US-11174229-B2 D-amphetamine compounds, compositions, and processes for making and using the same DDT, COMT, DDC THRB 3499/4885MEN1 2429/4885KMT2A 433/4885
US-20120253064-A1 PARAKERATOSIS INHIBITOR AND SKIN PREPARATION FOR EXTERNAL USE CUTA, HPN, PRSS1 THRB 4686/4885MEN1 3084/4885KMT2A 1713/4885
US-20070225380-A1 Parakeratosis Inhibitor and Skin Preparation for External use CUTA, HPN, DNPEP THRB 4594/4885MEN1 3026/4885KMT2A 1731/4885
US-20200129497-A1 D-AMPHETAMINE COMPOUNDS, COMPOSITIONS, AND PROCESSES FOR MAKING AND USING THE SAME DDT, COMT, DDC THRB 3499/4885MEN1 2429/4885KMT2A 433/4885
US-20220348544-A1 KETAMINE COMPOUNDS AND PROCESSES FOR MAKING AND USING THEM OPRK1, GRIK3, GRIN3B THRB 3203/4885MEN1 4515/4885KMT2A 2103/4885

“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.