SCHEMBL5653389

SCHEMBL5653389

NC(=O)CNCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
PLA2G1B P04054 1/20 0.47
POLB P06746 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
FFAR1 O14842 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL22395044 0.85 SCN3A (0.48) TSHRSPHK2SPHK1SLC6A2SLC6A4
SCHEMBL9903432 0.85 SCN3A (0.48) TSHRSPHK2SPHK1CYP1A2CYP2D6
SCHEMBL9903837 0.82 IDO1 (0.50) TRPV1
SCHEMBL9903804 0.82 LMNA (0.52) TSHRSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL8338352 0.80 CYP2C9 (0.61) SMN1; SMN2SPHK2SPHK1MEN1ALDH1A1
SCHEMBL11957894 0.80 PRMT5 (0.54) TSHRSMN1; SMN2PRMT5WDR77SLC6A2
SCHEMBL8987672 0.79 L3MBTL1 (0.65) TSHRSMN1; SMN2PRMT5WDR77SLC6A2
SCHEMBL626343 0.79 TSHR (0.67) TSHRSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL9903566 0.78 HDAC1 (0.56) SPHK2SPHK1MEN1KMT2AF7
SCHEMBL6235212 0.77 IDO1 (0.45) TSHRSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 TSHR 2539/4885SMN1; SMN2 4552/4885PRMT5 2214/4885

“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.