SCHEMBL10201190

SCHEMBL10201190

COc1ccc(NC(=O)c2cccnc2)nc1Br

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 2/20 0.55
POLB P06746 1/20 0.55
CHRM4 P08173 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.50
ABCB1 P08183 1/20 0.50
ABCC1 P33527 1/20 0.50

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
SCHEMBL10201196 0.82 HSD17B10 (0.66) HSD17B10SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL10752615 0.77 HSD17B10 (0.56) HSD17B10MAPTMAPK1SMN1; SMN2TSHR
SCHEMBL29989633 0.75 MAPT (1.00) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL4651272 0.75 MAPT (1.00) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL11196639 0.73 SMN1; SMN2 (0.81) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL1520345 0.73 HSD17B10 (0.65) HSD17B10KMT2A
SCHEMBL22983005 0.73 ALDH1A1 (0.68) HSD17B10MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6178491 0.72 MAPT (0.74) MAPTMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL23015764 0.72 HSD17B10 (0.64) HSD17B10SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL21870166 0.72 KDM4E (0.73) HSD17B10MAPTMAPK1SMN1; SMN2TSHR

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 HSD17B10 256/4885MAPT 971/4885MAPK1 878/4885

“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.