SCHEMBL7020087

SCHEMBL7020087

CC(N=C(N)N)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.70
LMNA P02545 4/20 0.50
CYP2C19 P33261 1/20 0.48
MIF P14174 2/20 0.47
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NOS3 P29474 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL14355196 0.84 NOS2 (0.96) NOS2LMNAMIFADRA2AADRA2C
SCHEMBL8082501 0.80 NOS2 (0.47) NOS2LMNAADRA2AADRA2CHIF1A
SCHEMBL6682638 0.78 NOS2 (0.46) NOS2LMNACYP2C19ADRA2AADRA2C
Hydrochloric Acid SCHEMBL8079624 0.78 NOS2 (0.46) NOS2LMNAADRA2AADRA2CHIF1A
SCHEMBL6682071 0.78 NOS2 (0.46) NOS2LMNACYP2C19ALDH1A1
SCHEMBL22180009 0.78 NOS2 (0.46) NOS2NOS3
SCHEMBL20487491 0.78 CA12 (0.48) NOS2ALDH1A1
SCHEMBL20486524 0.77 ANPEP (0.51) NOS2LMNACYP2C19HIF1AKDM4E
Acetic Acid SCHEMBL11168239 0.77 NOS2 (0.62) NOS2LMNACYP2C19MIFNOS3
Hydrochloric Acid SCHEMBL7327781 0.77 CA12 (0.47) NOS2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 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 (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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS NOS2 3935/4885LMNA 4361/4885CYP2C19 4650/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS NOS2 3935/4885LMNA 4361/4885CYP2C19 4650/4885

“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.