SCHEMBL7656830

SCHEMBL7656830

O=c1c2ccccc2[nH]c(=S)n1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
PDE7A Q13946 1/20 0.52
PDE7B Q9NP56 1/20 0.52
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
MAPK10 P53779 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL6295507 0.75 MEN1 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL860065 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29446470 0.72 NPC1 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31337729 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10347428 0.70 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL31285917 0.70 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30103233 0.69 PDE7A (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL844588 0.69 PDE7A (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6796770 0.69 CTSV (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL3269756 0.69 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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-20020082268-A1 Therapeutic compounds for the treatment of asthma and allergy, and methods of use thereof SEPRACOR INC. 2002-06-27 US disclosed
WO-2001070737-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ASTHMA AND ALLERGY AND USE THEREOF SEPRACOR, INC. (US) 2001-09-27 WO 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-20020082268-A1 Therapeutic compounds for the treatment of asthma and allergy, and methods of use thereof LTC4S, LTA4H, HRH2 ALDH1A1 417/4885MEN1 3193/4885KMT2A 2409/4885

“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.