SCHEMBL3748943

SCHEMBL3748943

CN(C)CCN1C(=O)c2ccc3cc([N+](=O)[O-])ccc3c2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.57
FTO Q9C0B1 1/20 0.57
TERT O14746 1/20 0.50
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL212527 0.82 PABPC1 (0.64) PABPC1FTOCHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL3974443 0.81 PABPC1 (0.62) PABPC1FTOCHRM2HTR1AADRA2A
SCHEMBL9623457 0.79 PABPC1 (0.50) PABPC1FTOTERTCHRM2HTR1A
Acetic Acid SCHEMBL25299219 0.77 PABPC1 (0.58) PABPC1FTOMEN1ALDH1A1KMT2A
Acetic Acid SCHEMBL30498942 0.77 PABPC1 (0.58) PABPC1FTOMEN1ALDH1A1KMT2A
SCHEMBL7712243 0.76 FTO (0.81) PABPC1FTOTERTCHRM2HTR1A
SCHEMBL3746619 0.74 PABPC1 (0.51) PABPC1FTOTERTCHRM2HTR1A
Mitonafide SCHEMBL62046 0.73 FTO (1.00) PABPC1FTOMEN1ALDH1A1LMNA
Mitonafide SCHEMBL29352711 0.73 FTO (1.00) PABPC1FTOMEN1ALDH1A1LMNA
Mitonafide SCHEMBL29499462 0.73 FTO (1.00) PABPC1FTOMEN1ALDH1A1LMNA

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-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-20140378503-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY 2014-12-25 US disclosed
US-8829025-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2014-09-09 US disclosed
US-20130225634-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-08-29 US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 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 (3 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-20140378503-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC PABPC1 1306/4885FTO 4344/4885TERT 2451/4885
US-20100303719-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC PABPC1 1306/4885FTO 4344/4885TERT 2451/4885
US-20130225634-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC PABPC1 1306/4885FTO 4344/4885TERT 2451/4885

“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.