Sugi Predict

Sugi Predict / Compounds / SCHEMBL16474263

SCHEMBL16474263

SCHEMBL16474263

CCOC(=O)C(C#N)c1cnc(C)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16460805 0.84 MEN1 (0.49) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL17466005 0.81 MEN1 (0.58) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL16751983 0.80 KMT2A (0.51) KMT2ASMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL17653900 0.78 GAA (0.49) KMT2ASMN1; SMN2GAAMEN1POLB
SCHEMBL22995348 0.77 KMT2A (0.58) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL17465799 0.77 GAA (0.58) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL6289274 0.77 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL502194 0.77 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL30402418 0.77 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2GAAMEN1HTT
SCHEMBL13516527 0.76 GAA (0.57) KMT2ASMN1; SMN2GAAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy H. LUNDBECK A/S (DK) 2017-07-20 — — US disclosed
US-9649308-B2 Benzamide-containing compounds and their use in the treatment of pain H. LUNDBECK A/S (DK) 2017-05-16 — — US disclosed
US-20150283134-A1 Benzamides MINDIMMUNE THERAPEUTICS, INC. 2015-10-08 — — US disclosed
US-9102591-B2 Benzamides H. LUNDBECK A/S (DK) 2015-08-11 — — US disclosed
US-20140107340-A1 Benzamides H. LUNDBECK A/S (DK) 2014-04-17 — — 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 (3 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-20140107340-A1 Benzamides P2RX7, TRPV1, P2RX5 KMT2A 2723/4885SMN1; SMN2 3854/4885GAA 1869/4885
US-20170202836-A1 Benzamides-Containing Compounds and Their Use in the Treatment of Epilepsy P2RX5, P2RX7, P2RX6 KMT2A 854/4885SMN1; SMN2 2858/4885GAA 860/4885
US-20150283134-A1 Benzamides P2RX7, TRPV1, P2RX5 KMT2A 2723/4885SMN1; SMN2 3854/4885GAA 1869/4885

“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.