SCHEMBL10100896

SCHEMBL10100896

CC(C)(C)C(=O)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.56
USP2 O75604 2/20 0.56
MAPK1 P28482 4/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
AKR1C3 P42330 1/20 0.53
RBP4 P02753 1/20 0.51
POLB P06746 2/20 0.50
SLC6A7 Q99884 1/20 0.50
SLC1A2 P43004 1/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8241506 0.83 MAPK1 (0.66) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL13589640 0.81 MEN1 (0.67) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL7838852 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL3184169 0.78 MEN1 (0.63) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL3180448 0.77 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL3867043 0.77 HTR1A (0.67) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL4670098 0.77 USP2 (0.72) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL13588798 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL13448477 0.77 KMT2A (0.57) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL631962 0.76 ALDH1A1 (0.69) MEN1KMT2AALDH1A1TSHRUSP2

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-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 2011-11-03 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-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES HRH4, HNMT, TST MEN1 1899/4885KMT2A 3586/4885ALDH1A1 3477/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 MEN1 1715/4885KMT2A 2967/4885ALDH1A1 2899/4885

“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.