SCHEMBL16825829

SCHEMBL16825829

C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(S)=NC#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16825772 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAALOX12HTT
SCHEMBL16825775 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAALOX12HTT
SCHEMBL16825771 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAALOX12HTT
SCHEMBL16825828 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAALOX12HTT
SCHEMBL16826199 0.88 ALDH1A1 (0.56) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL16826198 0.88 ALDH1A1 (0.56) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL16826364 0.88 ALDH1A1 (0.56) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL16826362 0.88 ALDH1A1 (0.56) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL16826197 0.88 ALDH1A1 (0.56) SMN1; SMN2LMNAHPGDKMT2AALDH1A1
SCHEMBL16846221 0.85 ALDH1A1 (0.59) SMN1; SMN2MAPTLMNAALOX12HTT

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 SMN1; SMN2 4335/4885MAPT 2060/4885LMNA 3856/4885

“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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