SCHEMBL3540407

SCHEMBL3540407

Clc1[c]c(Cl)c(Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.37
IDO1 P14902 2/20 0.37
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A4 P31645 1/20 0.33
MPO P05164 1/20 0.33
MAOB P27338 1/20 0.33
AGXT P21549 1/20 0.33

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
SCHEMBL1862187 0.85 MAPT (0.36) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL1859756 0.85 IDO1 (0.34) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL1857795 0.84 CTRC (0.44) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL1859772 0.80 LTA4H (0.46) MAPTALDH1A1IDO1HPGDALOX15
SCHEMBL1859749 0.72 TAAR1 (0.37) KMT2AMAPTALDH1A1TAAR1HPGD
SCHEMBL1860328 0.70 CTRC (0.39)
SCHEMBL1106684 0.69 IDO1 (0.58) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL11722438 0.68 IDO1 (0.56) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL5467702 0.68 ALDH1A1 (0.38) MEN1KMT2AALDH1A1IDO1TAAR1
SCHEMBL1861219 0.67 IDO1 (0.43) KMT2AALDH1A1IDO1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683074-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2010-03-23 US disclosed
US-7419987-B2 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them ELBION AG (DE) 2008-09-02 US disclosed
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2008-08-28 US disclosed
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 US disclosed
US-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them BIOTIE THERAPIES GMBH (DE) 2006-11-16 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-20060258700-A1 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE3A MEN1 1903/4885KMT2A 1003/4885MAPT 4493/4885
US-20080207680-A1 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them PDE4A, PDE4B, PDE7A MEN1 2289/4885KMT2A 1119/4885MAPT 4586/4885

“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.