SCHEMBL9889072

SCHEMBL9889072

CC(=N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
SRD5A2 P31213 1/20 0.48
TSHR P16473 1/20 0.46
NQO2 P16083 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
HIF1A Q16665 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
SIRT1 Q96EB6 1/20 0.42
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42

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
SCHEMBL23709159 0.82 LMNA (0.52) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL18644564 0.81 NOS3 (0.39) LMNATSHRMAPTALDH1A1KMT2A
SCHEMBL7965283 0.79 LMNA (0.55) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL18537001 0.78 HDAC1 (0.48) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL421322 0.78 NQO2 (0.60) HDAC1LMNATYRSRD5A2NQO2
Hydrochloric Acid SCHEMBL22712464 0.76 NQO2 (0.58) HDAC1LMNATYRSRD5A2NQO2
SCHEMBL292571 0.76 LMNA (0.57) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL397829 0.75 EPHX2 (0.65) HDAC1LMNATYRSRD5A2MAPT
SCHEMBL465848 0.75 TSHR (0.52) HDAC1LMNATYRSRD5A2TSHR
SCHEMBL11699186 0.75 MAPT (0.50) HDAC1LMNATYRSRD5A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020242719-A2 INHIBITORS OF RNA-BINDING PROTEINS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-12-03 WO disclosed
US-10017691-B2 Organic electroluminescent element, display device and lighting device Konica Minolta, Inc. (JP) 2018-07-10 US disclosed
US-9266828-B2 Inhibitors of Furin and other pro-protein convertases SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-02-23 US disclosed
US-20150148284-A1 Controlled Release of Phenolic Opioids PHARMACOFORE, INC. 2015-05-28 US disclosed
US-20150073054-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2015-03-12 US disclosed
US-20150051138-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-02-19 US disclosed
US-8921418-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
US-20120270894-A1 Controlled Release of Phenolic Opioids 3I, LP 2012-10-25 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-09-20 US disclosed
US-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2007-08-30 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 (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-20070202174-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 HDAC1 1818/4885LMNA 1869/4885TYR 427/4885
US-20120270894-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 HDAC1 744/4885LMNA 4070/4885TYR 200/4885
US-10017691-B2 Organic electroluminescent element, display device and lighting device L1CAM, ELOVL1, LAGE3 HDAC1 3771/4885LMNA 3814/4885TYR 25/4885
US-20150148284-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 HDAC1 744/4885LMNA 4070/4885TYR 200/4885
US-20150051138-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES FURIN, PREP, PCSK6 HDAC1 430/4885LMNA 558/4885TYR 4197/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 HDAC1 1051/4885LMNA 2758/4885TYR 2245/4885
US-20070218136-A1 New mandelic acid derivatives and their use as thrombin inhibitors TFPI, F2R, F2 HDAC1 1818/4885LMNA 1869/4885TYR 427/4885
US-20150073054-A1 INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES FURIN, PREP, PCSK6 HDAC1 430/4885LMNA 558/4885TYR 4197/4885

“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.