SCHEMBL6712937

SCHEMBL6712937

Clc1coc2nc3ccccc3c(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
KMT2A Q03164 2/20 0.37
C1R P00736 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE5A O76074 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
HPGD P15428 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL12466716 0.73 KDM1A (0.44) KMT2AALDH1A1TDP1KDM4EGLA
SCHEMBL21031531 0.72 MAOA (0.52) MAOAMAOBKMT2AALDH1A1TDP1
SCHEMBL6718989 0.71 MAOA (0.61) MAOAMAOBKMT2AC1RALDH1A1
SCHEMBL15131694 0.71 MAOA (0.67) MAOAMAOBKMT2AALDH1A1TDP1
SCHEMBL10654059 0.71 MAOA (0.65) MAOAMAOBKMT2AC1RALDH1A1
SCHEMBL455949 0.70 MAOA (1.00) MAOAMAOBKMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL28400797 0.68 MAOA (0.95) MAOAMAOBKMT2AALDH1A1TDP1
SCHEMBL15131691 0.66 MAOA (0.73) MAOAMAOBKMT2AALDH1A1TDP1
SCHEMBL6679033 0.65 MAOA (0.70) MAOAMAOBKMT2AALDH1A1TDP1
SCHEMBL902174 0.64 MAOA (0.61) MAOAMAOBKMT2AC1RALDH1A1

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-6750223-B2 TO INHIBIT THE GROWTH OF A VARIETY OF TUMOR/CANCER CELLS, ESPECIALLY LEUKEMIA, COLON, MELANOMA, AND BREAST CANCER CELLS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2004-06-15 US disclosed
US-20040072856-A1 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2004-04-15 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-20040072856-A1 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ADRA2C, CYP4B1, NQO2 MAOA 824/4885MAOB 464/4885KMT2A 2082/4885

“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.