SCHEMBL21895251

SCHEMBL21895251

CC(C)(C)C(C)(C)c1cccc2nsnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 2/20 0.46
▸ TXNRD1 Q16881 1/20 0.42
▸ TXNRD3 Q86VQ6 1/20 0.42
▸ TXNRD2 Q9NNW7 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DUSP3 P51452 1/20 0.40

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
SCHEMBL3439599 0.85 MAPT (0.57) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL19177266 0.79 KDM4E (0.46) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL20439222 0.73 KDM4E (0.40) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL23794473 0.72 KMT2A (0.34) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL762283 0.70 MAPT (0.57) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL12775851 0.69 KDM4E (0.47) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL12403886 0.69 MAPT (0.49) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL198065 0.69 MAPT (0.61) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL21577671 0.68 MAPT (0.36) KDM4EHSD17B10MAPTHIF1AALDH1A1
SCHEMBL12391731 0.67 POLB (0.51) KDM4EHSD17B10MAPTHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773052-B2 Enamine compound and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-10-03 — — US disclosed
US-11773052-B2 Enamine compound and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-10-03 — — US disclosed
US-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-03-19 — — 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 (2 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-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF ENY2, AHR, PAH KDM4E 3253/4885HSD17B10 348/4885MAPT 4323/4885
US-11773052-B2 Enamine compound and use thereof ENY2, AHR, PAH KDM4E 3253/4885HSD17B10 348/4885MAPT 4323/4885

“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.

Send feedback