SCHEMBL1724937

SCHEMBL1724937

CNNC(=O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
HDAC1 Q13547 2/20 0.64
RAB9A P51151 5/20 0.62
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 2/20 0.62
TSHR P16473 1/20 0.59
HDAC3 O15379 1/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 4/20 0.57
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL1858111 0.87 RAB9A (0.78) MAPTHDAC1RAB9AALDH1A1NPC1
SCHEMBL9119580 0.87 MAPT (0.71) MAPTHDAC1RAB9AALDH1A1NPC1
SCHEMBL77352 0.83
SCHEMBL7060779 0.82 RAB9A (0.66) MAPTHDAC1RAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL32689140 0.82 HDAC1 (0.67) MAPTHDAC1RAB9AALDH1A1NPC1
SCHEMBL9528874 0.80 MAPT (1.00) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL28845196 0.80 HDAC1 (0.64) MAPTHDAC1RAB9AALDH1A1NPC1
SCHEMBL4739925 0.80 RAB9A (0.73) MAPTHDAC1RAB9AALDH1A1NPC1
SCHEMBL8173057 0.79 TSHR (0.63) MAPTHDAC1RAB9AALDH1A1NPC1
SCHEMBL8345583 0.79 RAB9A (0.62) MAPTHDAC1RAB9AALDH1A1NPC1

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
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 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-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS MAPT 4098/4885HDAC1 217/4885RAB9A 2264/4885

“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.