SCHEMBL4099996

SCHEMBL4099996

[c]1nc2ccccc2cc1-c1ccsn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NQO2 P16083 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
SCHEMBL523809 0.75 RAB9A (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL2278930 0.73 NPC1 (0.51) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL2320187 0.73 KDM4E (0.47) ALDH1A1MAPTHPGDKDM4E
SCHEMBL2659111 0.72 NPC1 (0.44) ALDH1A1MAPTHPGDKDM4E
SCHEMBL628270 0.72 ALDH1A1 (0.43) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL29213516 0.71 KDM4E (0.44) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL1542711 0.71 DHODH (0.39) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL2034106 0.71 MAPT (0.35) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL10394043 0.71 MAPT (0.35) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL2893870 0.71 RAB9A (0.46) ALDH1A1GLAMAPTHPGDKDM4E

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-2636669-B1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF AS FUNGICIDE SINOCHEM CORP (CN) 2015-10-21 EP disclosed
EP-2636669-A1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF Sinochem Corporation (CN) 2013-09-11 EP disclosed
US-8338593-B2 Agonists; Treatment of Hepatitis C virus; phosphinate-substituted purine derivatives GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 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-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 ALDH1A1 3641/4885GLA 3044/4885MAPT 4376/4885

“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.