SCHEMBL346327

SCHEMBL346327

O=[N+]([O-])c1ccc(CCNC2CC3CCC2C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.45
GRIN2B Q13224 1/20 0.44
HRH3 Q9Y5N1 3/20 0.42
KCNH2 Q12809 2/20 0.42
TSHR P16473 1/20 0.42
KCNJ1 P48048 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14725137 0.87 ALDH1A1 (0.43) ALDH1A1GAATSHRNPC1SMN1; SMN2
SCHEMBL4892582 0.79 PPID (0.42) ALDH1A1GRIN2BNPC1SMN1; SMN2
SCHEMBL13589885 0.79 FUCA1 (0.49) ALDH1A1GRIN2BNPC1SMN1; SMN2
SCHEMBL5651590 0.77 GRIN2B (0.61) GAAGRIN2BHRH3KCNH2TSHR
SCHEMBL18017611 0.76 HTT (0.45) ALDH1A1TSHRKMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27940283 0.72 GRIN2B (0.56) ALDH1A1GAAGRIN2BHRH3MEN1
SCHEMBL4208603 0.71 GRIN2B (0.55) GRIN2BHRH3KCNH2TSHRKCNJ1
SCHEMBL3092297 0.71 LMNA (0.47) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL5163838 0.71 LMNA (0.47) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL9628053 0.69 KCNH2 (0.73) ALDH1A1HRH3KCNH2TSHRKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026343-B2 Pharmacologic inhibition of Myc function UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-04-11 US claimed
US-20040034060-A1 Pharmacologic inhibition of Myc function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US claimed
WO-2003105759-A2 PHARMACOLOGIC INHIBITION OF MYC FUNCTION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-12-24 WO claimed
US-20190085404-A1 METHODS OF IDENTIFYING AND TREATING IMMUNE CHECKPOINT INHIBITOR-RESPONSIVE NEOPLASMS AND CELLS, TRANSGENIC ANIMALS AND KITS FOR USE THEREIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 US disclosed
US-9155724-B2 Combination methods for treatment of disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-10-13 US disclosed
US-8637556-B2 Linked Myc-max small molecule inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-01-28 US disclosed
WO-2012055170-A1 USE OF CYTOPLASMIC C-MYC FOR REGULATING IMMUNE RESPONSES THE UNIVERSITY OF HONG KONG (CN) 2012-05-03 WO disclosed
US-20120107317-A1 USE OF CYTOPLASMIC C-MYC FOR REGULATING IMMUNE RESPONSES THE UNIVERSITY OF HONG KONG (CN) 2012-05-03 US disclosed
US-20120015989-A1 LINKED MYC-MAX SMALL MOLECULE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-01-19 US disclosed
WO-2010083404-A2 LINKED MYC-MAX SMALL MOLECULE INHIBITORS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-07-22 WO disclosed
US-7026343-B2 Pharmacologic inhibition of Myc function UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-04-11 US disclosed
US-20040034060-A1 Pharmacologic inhibition of Myc function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US disclosed
WO-2003105759-A2 PHARMACOLOGIC INHIBITION OF MYC FUNCTION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-12-24 WO 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 (2 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-20120015989-A1 LINKED MYC-MAX SMALL MOLECULE INHIBITORS MYC, MAX, MYCBP ALDH1A1 4780/4885GAA 2445/4885GRIN2B 3878/4885
US-20040034060-A1 Pharmacologic inhibition of Myc function MYCBP, MYC, MYCBP2 ALDH1A1 4614/4885GAA 2137/4885GRIN2B 3856/4885

“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.