SCHEMBL248463

SCHEMBL248463

CC(C)(C)OC(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GSK3B P49841 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.37
AKT1 P31749 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
BRD4 O60885 1/20 0.36
PAX8 Q06710 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL383043 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL6880352 0.84 MT-CO2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL16236160 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL20163123 0.80 TRPV1 (0.40) CYP3A4CYP2C9CYP2C19PAX8
SCHEMBL978403 0.79 GPR119 (0.43) PAX8
SCHEMBL29899039 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GSK3BMEN1KMT2A
SCHEMBL16236159 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AATM
SCHEMBL979761 0.78 MAPT (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL4361288 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL30875817 0.77 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US claimed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP claimed
CN-116348114-A Thiobenzimidazole derivatives or pharmaceutically acceptable salts thereof and use thereof 高丽大学校产学协力团 2023-06-27 CN disclosed
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2014-09-18 US disclosed
US-8729130-B2 Methods of using novel solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2014-05-20 US disclosed
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-06-13 US disclosed
US-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-04-25 US disclosed
WO-2012003413-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2012-01-05 WO disclosed
JP-2002088048-A METHOD FOR PRODUCING N-T-BUTOXYCARBONYLNITROANLINE DERIVATIVE SUMITOMO CHEM CO LTD 2002-03-27 JP 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 (4 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-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 ALDH1A1 3839/4885SMN1; SMN2 2469/4885GSK3B 917/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 ALDH1A1 824/4885SMN1; SMN2 1508/4885GSK3B 4095/4885
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 ALDH1A1 3839/4885SMN1; SMN2 2469/4885GSK3B 917/4885
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, FAM162A, ACAT2 ALDH1A1 3973/4885SMN1; SMN2 2598/4885GSK3B 622/4885

“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.