SCHEMBL6711969

SCHEMBL6711969

Cc1c(CC#N)cccc1[N+](=O)[O-].Cc1c(N)cccc1CC#N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.38
PDE7A Q13946 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
PIK3CA P42336 1/20 0.35
CUL4A Q13619 1/20 0.35

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
SCHEMBL3842149 0.91 ALDH1A1 (0.70) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL5200637 0.83 CYP3A4 (0.50) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL190550 0.78 TDP1 (0.72) ALDH1A1TDP1TSHRSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL9438398 0.77 TDP1 (0.69) ALDH1A1TDP1TSHRSMN1; SMN2POLB
SCHEMBL181041 0.75 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL7291481 0.74 ALDH1A1 (0.72) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL6205360 0.74 TDP1 (0.64) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL14641737 0.73 TDP1 (0.69) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL10959778 0.73 ALDH1A1 (0.70) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL6130889 0.73 ALDH1A1 (0.70) ALDH1A1HPGDTDP1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248923-A1 Novel 4-anilinoquinoline-3-carboxamides ASTRAZENECA AB (SE) 2004-12-09 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-20040248923-A1 Novel 4-anilinoquinoline-3-carboxamides JAK3, JAK2, JAK1 ALDH1A1 2836/4885HPGD 3742/4885TDP1 4594/4885

“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.