SCHEMBL10136902

SCHEMBL10136902

Cc1csc(N2CCCCC2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DNM1L O00429 1/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL3556057 0.95 L3MBTL1 (0.46) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL20548132 0.79 DNM1L (0.47) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL2557518 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL21875300 0.79 DNM1L (0.47) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL24375495 0.75 IRAK4 (0.41) L3MBTL1SMN1; SMN2LMNA
SCHEMBL13634279 0.75 DNM1L (0.42) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL21875377 0.75 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL13999772 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3511935 0.73 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL3550331 0.73 PTGER1 (0.46) ALDH1A1MEN1KMT2AHPGDL3MBTL1

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-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 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-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC ALDH1A1 4639/4885MEN1 708/4885KMT2A 3375/4885

“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.