SCHEMBL8738472

SCHEMBL8738472

CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00

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
Hydrochloric Acid SCHEMBL8986147 0.80 CYP2D6 (0.74) CYP2D6CYP1A2CYP2C19
SCHEMBL14577833 0.77 CYP2D6 (0.70) CYP2D6
SCHEMBL672224 0.75 CYP2D6 (0.60) CYP2D6CYP1A2CYP2C19
SCHEMBL4639987 0.74 MAOB (0.64) CYP2D6CYP1A2CYP2C19
SCHEMBL7921889 0.72 MAOB (0.68) CYP2D6CYP1A2CYP2C19
SCHEMBL6599866 0.71 MAOB (0.68)
SCHEMBL670885 0.70 DHFR (1.00)
SCHEMBL13192710 0.70 MAOB (0.70) CYP2D6CYP1A2CYP2C19
SCHEMBL810682 0.69 MAOB (0.67)
SCHEMBL671231 0.69 DHFR (0.55) CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 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 (1 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-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR CYP2D6 4837/4885CYP1A2 4831/4885CYP2C19 4841/4885

“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.