SCHEMBL10201420

SCHEMBL10201420

COc1nccc(O)c1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
APLNR P35414 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
MTNR1A P48039 1/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
TP53 P04637 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL22928459 0.77 CYP3A4 (0.37) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL5942340 0.77 ALDH1A1 (0.39) ALDH1A1HPGDAPLNRCCR1CCR5
SCHEMBL21552375 0.77 TDP1 (0.38) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL17946845 0.77 NOS3 (0.36) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL30975066 0.77 TDP1 (0.38) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL24457916 0.77 CCR1 (0.37) NOS3NOS1NOS2ALDH1A1APLNR
SCHEMBL31289813 0.75 HPGD (0.40) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL16618427 0.75 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL31146220 0.75 AURKA (0.43) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL2790470 0.75 AURKA (0.43) NOS3NOS1NOS2ALDH1A1KDM4E

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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 (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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 NOS3 235/4885NOS1 221/4885NOS2 181/4885

“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.