SCHEMBL5361973

SCHEMBL5361973

O=C(CCl)NN=c1[nH]c2ccccc2n(-c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5667519 1.00 TSHR (0.42) TSHRCASP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8888752 0.92 TSHR (0.40) TSHRCASP1ALDH1A1LMNAKDM4E
SCHEMBL7782299 0.74 PDE7A (0.45) ALDH1A1PDE7APDE7BLMNAKDM4E
SCHEMBL30910102 0.68 PDE7A (0.51) TSHRCASP1ALDH1A1PDE7APDE7B
SCHEMBL3150851 0.68 PDE7A (0.51) TSHRCASP1ALDH1A1PDE7APDE7B
SCHEMBL9436260 0.68 ALDH1A1 (0.41) TSHRCASP1ALDH1A1PDE7APDE7B
SCHEMBL7783672 0.67 LMNA (0.43) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL699273 0.65 LMNA (0.65) ALDH1A1PDE7APDE7BLMNAKDM4E
SCHEMBL29367625 0.65 LMNA (0.65) ALDH1A1PDE7APDE7BLMNAKDM4E
SCHEMBL16634744 0.60 L3MBTL1 (0.55) SMN1; SMN2LMNAKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186564-B2 Polynucleotides encoding novel cysteine proteases of the calpain superfamily, CAN-12v1 and CAN-12v2. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-06 US disclosed
US-20060183196-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, CAN-12, and variants thereof CHEN JIAN 2006-08-17 US disclosed
EP-1567642-A4 POLYNUCLEOTIDE ENCODING A NOVEL CYSTEINE PROTEASE OF THE CALPAIN SUPERFAMILY, CAN-12, AND VARIANTS THEREOF BRISTOL MYERS SQUIBB CO (US) 2006-02-08 EP disclosed
EP-1572926-A2 POLYNUCLEOTIDE ENCODING A NOVEL CYSTEINE PROTEASE OF THE CALPAIN SUPERFAMILY, PROTEASE-42 Bristol-Myers Squibb Company (US) 2005-09-14 EP disclosed
EP-1567642-A2 POLYNUCLEOTIDE ENCODING A NOVEL CYSTEINE PROTEASE OF THE CALPAIN SUPERFAMILY, CAN-12, AND VARIANTS THEREOF Bristol-Myers Squibb Company (US) 2005-08-31 EP disclosed
US-20040014093-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, Protease-42 BRISTOL-MYERS SQUIBB COMPANY 2004-01-22 US disclosed
WO-2003078594-A2 POLYNUCLEOTIDE ENCODING A NOVEL CYSTEINE PROTEASE OF THE CALPAIN SUPERFAMILY, PROTEASE-42 BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-25 WO disclosed
US-20030114373-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, CAN-12, and variants thereof BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
WO-2002088303-A2 POLYNUCLEOTIDE ENCODING A NOVEL CYSTEINE PROTEASE OF THE CALPAIN SUPERFAMILY, CAN-12, AND VARIANTS THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 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 (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-20040014093-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, Protease-42 CAPNS1, CAPN1, CAPN2 TSHR 3797/4885CASP1 2404/4885ALDH1A1 4710/4885
US-20060183196-A1 Polynucleotide encoding a novel cysteine protease of the calpain superfamily, CAN-12, and variants thereof CAPN9, CAPN1, CAPNS1 TSHR 3628/4885CASP1 3139/4885ALDH1A1 4707/4885

“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.