SCHEMBL6454672

SCHEMBL6454672

CCCNC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
MALT1 Q9UDY8 4/20 0.52
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
CHRNA7 P36544 1/20 0.50
FAAH O00519 2/20 0.49
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAD52 P43351 1/20 0.47
MAPT P10636 2/20 0.46
ALOX5 P09917 1/20 0.46
CCKAR P32238 2/20 0.45
ABCB1 P08183 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5698596 0.83 ALDH1A1 (0.60) ALDH1A1LMNAHTTMALT1PTGS2
SCHEMBL6449685 0.82 FAAH (0.66) ALDH1A1LMNAHTTMALT1PTGS2
SCHEMBL6454028 0.80 ALDH1A1 (0.56) ALDH1A1LMNAHTTNPC1TP53
SCHEMBL6453600 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHTTNPC1TP53
SCHEMBL31324294 0.75 MAPT (0.74) ALDH1A1LMNAHTTMALT1PTGS2
SCHEMBL14146419 0.75 ALDH1A1 (0.63) ALDH1A1LMNAHTTNPC1TP53
SCHEMBL14146409 0.75 ALDH1A1 (0.63) ALDH1A1LMNAHTTNPC1RAB9A
SCHEMBL6449653 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHTTNPC1TP53
SCHEMBL28109710 0.73 PTGS2 (0.60) ALDH1A1LMNAMALT1PTGS2PTGS1
SCHEMBL30071822 0.73 FAAH (0.52) ALDH1A1LMNAHTTMALT1PTGS2

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC ALDH1A1 287/4885LMNA 2406/4885HTT 1540/4885

“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.