SCHEMBL16826085

SCHEMBL16826085

CSC(=NC#N)N1CCN(C(C)COc2ccc(Br)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.46
DRD3 P35462 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
GPR183 P32249 1/20 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
SCHEMBL16826084 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16825848 0.89 DRD3 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16825850 0.89 DRD3 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16825705 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16825706 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16826342 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16826097 0.80 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16825783 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16826096 0.80 ALDH1A1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16825708 0.79 ALDH1A1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT

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
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC MEN1 2231/4885KMT2A 1919/4885ALDH1A1 1006/4885

“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.