SCHEMBL16826124

SCHEMBL16826124

COc1ccc(CNC(=O)C2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ TSHR P16473 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL18135562 0.89 LMNA (0.63) TDP1ALDH1A1MAPTPOLBTSHR
SCHEMBL16826100 0.87 EPHX2 (0.60) TDP1LMNA
SCHEMBL16825843 0.87 ALDH1A1 (0.50) TDP1ALDH1A1MAPTPOLBLMNA
SCHEMBL16825925 0.87 LMNA (0.59) TDP1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL16825712 0.87 LMNA (0.50) TDP1POLBLMNATP53
SCHEMBL16826434 0.86 MAPT (0.59) TDP1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL16825942 0.82 POLB (0.63) ALDH1A1MAPTPOLBTSHRLMNA
SCHEMBL16825698 0.82 LMNA (0.49) TDP1MAPTPOLBTSHRLMNA
SCHEMBL16825669 0.82 CA12 (0.52) TDP1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL18135547 0.82 LMNA (0.51) TDP1MAPTPOLBTSHRLMNA

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 8 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
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 TDP1 1348/4885ALDH1A1 1006/4885SMN1; SMN2 4335/4885

“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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