SCHEMBL16825726

SCHEMBL16825726

Cc1ccc(C)c(CNC(=O)C2CCN(c3nc(N)n[nH]3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.52
▸ POLB P06746 2/20 0.50
▸ EPHX2 P34913 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL18135561 0.87 POLB (0.60) LMNAPOLBEPHX2MAPTTP53
SCHEMBL18135562 0.86 LMNA (0.63) LMNAPOLBEPHX2KDM4EMAPT
SCHEMBL18135560 0.82 LMNA (0.43) LMNAPOLBEPHX2KDM4EMAPT
SCHEMBL16825929 0.81 KDM4E (0.57) LMNAEPHX2KDM4EMAPTTP53
SCHEMBL18135547 0.81 LMNA (0.51) LMNAPOLBKDM4EMAPTTP53
SCHEMBL16825684 0.80 KDM4E (0.61) LMNAPOLBEPHX2KDM4EMAPT
SCHEMBL16826017 0.80 KDM4E (0.46) LMNAPOLBEPHX2KDM4EMAPT
SCHEMBL16825942 0.80 POLB (0.63) LMNAPOLBEPHX2MAPTTP53
SCHEMBL16826434 0.79 MAPT (0.59) LMNAPOLBEPHX2KDM4EMAPT
SCHEMBL16826314 0.79 EPHX2 (0.51) LMNAPOLBEPHX2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
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
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US 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 LMNA 3856/4885POLB 3344/4885EPHX2 1286/4885

“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.

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