SCHEMBL1770469

SCHEMBL1770469

Cc1ccc2sc(C=O)nc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 9/20 0.38
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35

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
SCHEMBL22170872 0.79 ALDH1A1 (0.56) NPC1RAB9AGAAMAPTLMNA
SCHEMBL12109863 0.75 NPC1 (0.49) NPC1RAB9AGAAMAPTLMNA
SCHEMBL13006979 0.74 AHR (0.44) MAPTLMNAALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6009383 0.73 NPC1 (0.47) NPC1RAB9AGAAMAPTLMNA
SCHEMBL14776895 0.73 NPC1 (0.50) NPC1RAB9AGAAMAPTLMNA
SCHEMBL1771888 0.72 NPC1 (0.45) NPC1RAB9AGAAMAPTLMNA
SCHEMBL6234853 0.72 ALDH1A1 (0.61) NPC1RAB9AGAAMAPTLMNA
SCHEMBL7836861 0.72 ALDH1A1 (0.47) NPC1RAB9AGAAMAPTLMNA
SCHEMBL1771900 0.70 NPC1 (0.44) NPC1RAB9AGAAMAPTLMNA
SCHEMBL10030529 0.69 GAA (0.49) NPC1RAB9AGAAMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112149-A1 EPOTHILONE ANALOGUES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR USE AND THEIR PREPA RATIONS TANG, LI (CN) 2011-05-12 — — US disclosed
EP-2261221-A1 EPOTHILONE ANALOGUES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR USE AND THEIR PREPARATIONS Tang, Li (CN) 2010-12-15 — — EP 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-20110112149-A1 EPOTHILONE ANALOGUES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR USE AND THEIR PREPA RATIONS PPIA, PREP, THPO NPC1 996/4885RAB9A 2931/4885GAA 1321/4885

“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.

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