SCHEMBL4018355

SCHEMBL4018355

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
FAAH O00519 1/20 0.56
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
MGLL Q99685 2/20 0.53

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
SCHEMBL29082769 0.89 CYP1A2 (0.80) CYP1A2CYP2D6FAAHALDH1A1POLB
SCHEMBL1507165 0.88 CYP1A2 (0.78) CYP1A2CYP2D6FAAHMGLL
SCHEMBL640619 0.87 CYP1A2 (0.76) CYP1A2CYP2D6FAAHALDH1A1POLB
SCHEMBL18424173 0.85 CYP1A2 (0.73) CYP1A2CYP2D6FAAHALDH1A1POLB
SCHEMBL25075298 0.83 CYP1A2 (0.71) CYP1A2CYP2D6FAAHALDH1A1POLB
SCHEMBL2103545 0.83 CYP1A2 (0.70) CYP1A2CYP2D6FAAHMGLL
SCHEMBL5653105 0.83 POLB (0.71) CYP1A2CYP2D6FAAHALDH1A1POLB
SCHEMBL26042174 0.82 CYP1A2 (0.69) CYP1A2CYP2D6FAAHALDH1A1POLB
SCHEMBL10459207 0.82 CYP1A2 (0.69) CYP1A2CYP2D6ALDH1A1MGLL
SCHEMBL13645932 0.82 CYP1A2 (0.69) CYP1A2CYP2D6ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655640-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-02-02 US disclosed
US-7514418-B2 Camptothecin analogs and methods of preparation thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2009-04-07 US disclosed
US-7514418-B2 Camptothecin analogs and methods of preparation thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2009-04-07 US disclosed
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-08 US disclosed
US-6150343-A 10-HYDROXY-7-SUBSTITUTED SILYLCAMPTOTHECIN DERIVATIVE IS USED AS ANTICARCINOGENIC AND ANTITUMOR AGENT UNIVERSITY OF PITTSBURGH (US) 2000-11-21 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-20070259905-A1 Camptothecin analogs and methods of preparation thereof ADCY9, BCL9, ADCY10 CYP1A2 703/4885CYP2D6 619/4885FAAH 3447/4885

“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.