SCHEMBL3452292

SCHEMBL3452292

CC(C)c1ccc(-c2csc(N(CCC(=O)NS(=O)(=O)c3ccc(C#N)cc3)Cc3cccs3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
MMP1 P03956 4/20 0.35
MMP2 P08253 4/20 0.35
MMP3 P08254 4/20 0.35
MMP7 P09237 4/20 0.35
MMP9 P14780 4/20 0.35
MMP13 P45452 4/20 0.35
HSD11B1 P28845 2/20 0.35

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
SCHEMBL3453392 0.91 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3451985 0.91 MEN1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3453703 0.90 LMNA (0.45) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3453877 0.86 MEN1 (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13109620 0.85 ALDH1A1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL3452197 0.85 KDM1A (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13109627 0.84 MEN1 (0.38) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13109625 0.84 MEN1 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13109434 0.81 MAPT (0.45) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3452179 0.81 GCGR (0.44) MEN1KMT2ANPC1POLBRAB9A

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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 (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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MEN1 1990/4885KMT2A 2090/4885NPC1 952/4885

“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.