SCHEMBL3986085

SCHEMBL3986085

Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
PDE7A Q13946 1/20 0.49
HSPB1 P04792 2/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL3990252 0.87 PDE7A (0.49) HTTPDE7AHSPB1HSD17B10ALDH1A1
SCHEMBL8536694 0.87 HSPB1 (0.51) HTTPDE7AHSPB1HSD17B10ALDH1A1
SCHEMBL39135 0.87 HSPB1 (0.51) HTTPDE7AHSPB1HSD17B10ALDH1A1
SCHEMBL11591880 0.84 PDE7A (0.60) HTTPDE7AHSPB1HSD17B10ALDH1A1
SCHEMBL16343154 0.83 HTT (0.55) HTTHSPB1HSD17B10ACHEALDH1A1
SCHEMBL10359913 0.83 PDE7A (0.46) HTTPDE7AHSPB1HSD17B10ALDH1A1
SCHEMBL5387132 0.81 PTPN7 (0.58) HTTPDE7AHSPB1HSD17B10ALDH1A1
SCHEMBL12929385 0.81 PDE7A (0.57) PDE7AHSD17B10ALDH1A1MAPTNPSR1
SCHEMBL7121943 0.81 MEN1 (0.49) HTTPDE7AHSPB1ALDH1A1MAPT
SCHEMBL3138142 0.81 HTT (0.53) HTTHSPB1HSD17B10ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA HTT 2972/4885PDE7A 760/4885HSPB1 4687/4885

“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.