SCHEMBL20278368

SCHEMBL20278368

Cc1ccnn1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAPT P10636 7/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 11/20 0.45
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL20265527 0.79 HSD17B10 (0.46) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL17292927 0.77 HSD17B10 (0.55) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL20278384 0.74 MAPT (0.46) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL17293124 0.74 GABRA2 (0.56) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL30930904 0.73 LMNA (0.47) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL11266241 0.71 MEN1 (0.55) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL7046263 0.71 ABHD16A (0.63) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL1616714 0.70 ALDH1A1 (0.47) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL5537237 0.70 PKM (0.43) MAPTALDH1A1SMN1; SMN2PKMPDE4B
SCHEMBL11505896 0.70 MAPT (0.42) HSD17B10MAPTGAAALDH1A1LMNA

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-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 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-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 HSD17B10 1485/4885MAPT 2314/4885GAA 254/4885

“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.