SCHEMBL22601437

SCHEMBL22601437

CC(C)(C)c1cc(N2CCN(S(C)(=O)=O)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CHEK1 O14757 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45
SYK P43405 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 2/20 0.42
HIF1A Q16665 1/20 0.42
TTK P33981 1/20 0.41
CYP17A1 P05093 2/20 0.40
CYP21A2 P08686 2/20 0.40
CYP11B1 P15538 2/20 0.40

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
SCHEMBL20224121 0.80 HRH4 (0.56) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL22601587 0.80 HRH4 (0.51) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL22601451 0.79 HRH4 (0.54) LMNATSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL12606994 0.78 CYP3A4 (0.50) LMNACYP2C19CYP1A2CYP2D6SMN1; SMN2
SCHEMBL22601449 0.77 HSD17B10 (0.55) LMNACHEK1CYP2C19TSHRSMN1; SMN2
SCHEMBL22601526 0.77 CHRNA7 (0.47) LMNASYKSMN1; SMN2HSD17B10MEN1
SCHEMBL22601438 0.77 KDM4E (0.45) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL20224122 0.76 ADRB2 (0.51) CYP2C19CYP1A2CYP2D6CYP2C9HTT
SCHEMBL20224125 0.76 LMNA (0.45) LMNACHEK1SMN1; SMN2HSD17B10MEN1
SCHEMBL22601446 0.75 MEN1 (0.43) LMNASMN1; SMN2HSD17B10MEN1KMT2A

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (2 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK LMNA 645/4885CHEK1 4781/4885CYP2C19 3284/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 LMNA 3233/4885CHEK1 261/4885CYP2C19 4555/4885

“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.