SCHEMBL3079327

SCHEMBL3079327

NC(=O)c1ccc(Sc2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 1/20 0.61
PARP10 Q53GL7 3/20 0.59
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.45
PARP4 Q9UKK3 2/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
CYP2C19 P33261 2/20 0.44
PARP1 P09874 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL56532 0.86 PARP10 (0.74) TSHRCYP3A4PARP10LMNAL3MBTL1
SCHEMBL7642130 0.86 PARP10 (0.74) TSHRCYP3A4PARP10LMNAL3MBTL1
Terephthalamide SCHEMBL437011 0.86 PARP10 (0.74) TSHRCYP3A4PARP10LMNAL3MBTL1
SCHEMBL6381344 0.84 CYP3A4 (0.64) TSHRCYP3A4MAPK1PARP10HPGD
Hydrochloric Acid SCHEMBL4408462 0.84 PARP10 (0.71) TSHRCYP3A4PARP10LMNAL3MBTL1
Water SCHEMBL6343332 0.84 PARP10 (0.71) TSHRCYP3A4PARP10LMNAL3MBTL1
SCHEMBL2978952 0.83 HPGD (0.64) TSHRCYP3A4PARP10HPGDLMNA
SCHEMBL900829 0.83 TSHR (0.61) TSHRCYP3A4MAPK1HPGDLMNA
Benzene SCHEMBL28558933 0.81 PARP10 (0.68) TSHRCYP3A4PARP10L3MBTL1KMT2A
Benzene SCHEMBL6865184 0.81 PARP10 (0.68) TSHRCYP3A4PARP10L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules THE BURNHAM INSTITUTE 2010-10-14 US disclosed
US-7741521-B2 4-phenylsulfanyl-phenylamine derivatives used as BH3 Interacting Domain Death Antagonist (BID), for the treatment of neurodegenerative diseases, liver inflammation, multiple sclerosis, heart disease, ischemic injury and for controlling apoptotic cascade THE BURNHAM INSTITUTE (US) 2010-06-22 US disclosed
US-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus THE BURNHAM INSTITUTE (US) 2007-08-09 US disclosed
WO-2006004622-A2 INHIBITION OF BID-INDUCED CELL-DEATH USING SMALL ORGANIC MOLECULES THE BURNHAM INSTITUTE (US) 2006-01-12 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-20070185196-A1 Inhibitionof bid-induced cell-death using small organic moleculeus BID, BAD, TMBIM6 TSHR 4415/4885CYP3A4 2495/4885MAPK1 1548/4885
US-20100261788-A1 Inhibition of Bid-Induced Cell-Death Using Small Organic Molecules BID, BAD, TMBIM6 TSHR 4452/4885CYP3A4 2877/4885MAPK1 2029/4885

“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.