SCHEMBL14550752

SCHEMBL14550752

CC1Cc2cc(Br)cc([N+](=O)[O-])c2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
MAPT P10636 7/20 0.35
GALR3 O60755 3/20 0.35
THRB P10828 1/20 0.35
S100A4 P26447 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
ERN1 O75460 1/20 0.33
MAPK1 P28482 4/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
LMNA P02545 2/20 0.32
SLFN12 Q8IYM2 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 2/20 0.31

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
SCHEMBL7349533 0.83 AKR1B1 (0.37) AKR1B1MAPTGALR3THRBS100A4
SCHEMBL7350240 0.83 AKR1B1 (0.35) AKR1B1MAPTGALR3S100A4TRPV1
Hydrochloric Acid SCHEMBL2839862 0.82 AKR1B1 (0.36) AKR1B1MAPTGALR3THRBS100A4
SCHEMBL7346699 0.79 ERN1 (0.36) AKR1B1MAPTS100A4TRPV1ALDH1A1
SCHEMBL2840941 0.79 ALDH1A1 (0.33) AKR1B1MAPTS100A4TRPV1ALDH1A1
SCHEMBL13090465 0.77 ACHE (0.40) MAPTS100A4ALDH1A1MEN1KMT2A
SCHEMBL2843497 0.77 GPR35 (0.34) AKR1B1MAPTS100A4TRPV1ALDH1A1
SCHEMBL2843494 0.77 GPR35 (0.34) AKR1B1MAPTS100A4TRPV1ALDH1A1
SCHEMBL13090518 0.75 AKR1B1 (0.37) AKR1B1MAPTS100A4TRPV1ALDH1A1
SCHEMBL1119381 0.74 CYP11B1 (0.54) AKR1B1MAPTS100A4TRPV1ALDH1A1

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-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN AKR1B1 83/4885MAPT 4084/4885GALR3 86/4885

“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.