SCHEMBL13623334

SCHEMBL13623334

CCCN(CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HCAR3 P49019 1/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13618631 0.90 HTR1A (0.43) HTR1AMEN1KMT2AHCAR3DRD2
SCHEMBL2011929 0.90 HTR1A (0.44) HTR1AMEN1KMT2AHCAR3DRD2
Hydrochloric Acid SCHEMBL2012929 0.89 HTR1A (0.43) HTR1AMEN1KMT2AHCAR3DRD2
SCHEMBL2011768 0.86 DRD2 (0.43) HTR1AMEN1KMT2ADRD2KDM4E
SCHEMBL13930337 0.82 ALDH1A1 (0.51) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL2011930 0.78 HTR1A (0.43) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL7292776 0.78 HTR1A (0.46) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL3841214 0.78 TDP1 (0.51) HTR1AKMT2ADRD2DRD1DRD4
Hydrochloric Acid SCHEMBL2012931 0.77 HTR1A (0.42) HTR1ADRD2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL2012002 0.77 TDP1 (0.50) HTR1AKMT2ADRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US disclosed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 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-20080262244-A1 Process for the Preparation of Indolone Derivative HTR3C, HTR3B, HTR1B HTR1A 16/4885MEN1 2586/4885KMT2A 1799/4885

“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.