SCHEMBL20178634

SCHEMBL20178634

CC(S)N1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACE P12821 1/20 0.38
OGA O60502 1/20 0.37
CYP2D6 P10635 1/20 0.37
MC4R P32245 1/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36

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
SCHEMBL22879105 0.86 MAOA (0.53) MEN1KMT2AHRH3MAOAMAOB
SCHEMBL1101990 0.80 MEN1 (0.55) MEN1KMT2AHRH3KCNH2MAOA
SCHEMBL18723462 0.76 MEN1 (0.52) MEN1KMT2AHRH3KCNH2MAOA
SCHEMBL25758288 0.76 MEN1 (0.52) MEN1KMT2AHRH3KCNH2MAOA
SCHEMBL21217003 0.76 SIGMAR1 (0.39)
SCHEMBL26192019 0.74 MEN1 (0.50) MEN1KMT2AHRH3KCNH2MAOA
SCHEMBL21882589 0.73 ACACB (0.38) MEN1KMT2AKCNH2NOTUMMC4R
SCHEMBL13180668 0.73 MEN1 (0.63) MEN1KMT2AHRH3KCNH2MAOA
SCHEMBL20178647 0.72 TMEM97 (0.52) KCNH2NOTUMALDH1A1DPP7DPP4
SCHEMBL23942222 0.71 MEN1 (0.47) MEN1KMT2AHRH3KCNH2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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 (3 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-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT MEN1 3307/4885KMT2A 1473/4885HRH3 475/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 MEN1 4363/4885KMT2A 4586/4885HRH3 582/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 MEN1 4363/4885KMT2A 4586/4885HRH3 582/4885

“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.