SCHEMBL5658529

SCHEMBL5658529

O=C(O)Cc1ccccc1Sc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RECQL P46063 1/20 0.60
IFNAR1 P17181 1/20 0.58
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
MAPT P10636 1/20 0.54
RAD52 P43351 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.51
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
AKR1B1 P15121 1/20 0.47

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
SCHEMBL4438683 0.88 CYP2C9 (0.69) TDP1LMNASMN1; SMN2RECQLHPGD
SCHEMBL5658941 0.82 IFNAR1 (0.65) TDP1LMNASMN1; SMN2RECQLIFNAR1
SCHEMBL27710793 0.82 TDP1 (1.00) TDP1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL35925 0.82 TDP1 (1.00) TDP1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL29607554 0.82 TDP1 (1.00) TDP1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3955514 0.80 TDP1 (0.96) TDP1LMNASMN1; SMN2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL22115500 0.80 TDP1 (0.96) TDP1LMNASMN1; SMN2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL21246668 0.80 TDP1 (0.96) TDP1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL11437701 0.80 TDP1 (0.96) TDP1LMNASMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL8440785 0.80 TDP1 (0.96) TDP1LMNASMN1; SMN2ALDH1A1HPGD

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-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B TDP1 1364/4885LMNA 3718/4885SMN1; SMN2 3760/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B TDP1 2326/4885LMNA 2813/4885SMN1; SMN2 3809/4885

“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.