SCHEMBL15978465

SCHEMBL15978465

Cc1c([N+](=O)[O-])c(Cl)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 8/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
KLK3 P07288 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL159319 0.83 MAOA (0.52) TSHRCYP3A4KDM4EPKMALDH1A1
SCHEMBL29809325 0.83 MAOA (0.52) TSHRCYP3A4KDM4EPKMALDH1A1
Ammonia Solution, Strong SCHEMBL28719469 0.82 TSHR (0.47) TSHRCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL3870999 0.81 ACHE (0.48) TSHRCYP3A4KDM4EPKMALDH1A1
SCHEMBL12517268 0.81 S100A4 (0.54) CYP3A4KDM4EPKMALDH1A1MAPT
SCHEMBL842415 0.80 KMT2A (0.47) TSHRCYP3A4KDM4EALDH1A1MAPT
SCHEMBL21632211 0.80 CYP3A4 (0.50) TSHRCYP3A4KDM4EPKMALDH1A1
SCHEMBL2047715 0.77 MAPT (0.49) TSHRCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL27943843 0.75 TDP1 (0.52) TSHRKDM4EPKMALDH1A1MAPT
SCHEMBL20291524 0.75 CYP3A4 (0.61) TSHRCYP3A4KDM4EALDH1A1MAPT

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-9873694-B2 Imidazole quinoline-based immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-20140242121-A1 NOVEL IMIDAZOLE QUINOLINE-BASED IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-08-28 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-20140242121-A1 NOVEL IMIDAZOLE QUINOLINE-BASED IMMUNE SYSTEM MODULATORS IRF3, HLA-DRB1, IFNG TSHR 2685/4885CYP3A4 777/4885KDM4E 1584/4885

“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.