SCHEMBL5887402

SCHEMBL5887402

Cc1ccc(C2=CC[CH]C(c3ccc(Cl)c(Cl)c3)=C2[N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
ALKBH3 Q96Q83 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
HPRT1 P00492 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
NPC1 O15118 1/20 0.31
JAK2 O60674 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOB P27338 3/20 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
SCHEMBL5887174 0.82 MAPT (0.39) HSD17B10ALDH1A1LMNAMAPTEGFR
SCHEMBL5887415 0.80 AHR (0.38) ALKBH3ALDH1A1LMNAMAPTMEN1
SCHEMBL5887212 0.80 ALKBH3 (0.39) HSD17B10ALKBH3ALDH1A1LMNATDP1
SCHEMBL5887017 0.78 EGFR (0.38) ALKBH3ALDH1A1LMNAMAPTEGFR
SCHEMBL5887273 0.75 AHR (0.34) ALKBH3EGFRAHRMAOB
SCHEMBL5887325 0.74 AHR (0.33) ALKBH3EGFRAHRMAOB
SCHEMBL5887332 0.72 MRGPRX1 (0.31) ALKBH3MAPTAHRMAOBL3MBTL1
SCHEMBL5887178 0.72 AHR (0.31) ALKBH3AHRMAOB
SCHEMBL5887126 0.72 ALKBH3 (0.42) HSD17B10ALKBH3ALDH1A1LMNAMAPT
SCHEMBL6047593 0.68 ALKBH3 (0.36) HSD17B10ALKBH3EGFRAHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (2 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R HSD17B10 1195/4885ALKBH3 3753/4885ALDH1A1 1572/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R HSD17B10 1386/4885ALKBH3 3208/4885ALDH1A1 1501/4885

“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.