SCHEMBL18213601

SCHEMBL18213601

CNC(=O)c1cc2ncc(NCC[N+](C)(C)C)nc2n2c1nc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ GAA P10253 6/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ PRF1 P14222 2/20 0.34
▸ HPGD P15428 4/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ BRD4 O60885 9/20 0.33
▸ GLA P06280 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CASP7 P55210 1/20 0.32

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
SCHEMBL18286564 0.89 ALDH1A1 (0.41) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL18213594 0.87 KDM4E (0.40) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL22666435 0.86 KDM4E (0.37) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL19365079 0.84 KDM4E (0.45) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL18057392 0.83 KDM4E (0.40) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL18213597 0.83 SYK (0.40) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL18213604 0.82 KDM4E (0.48) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL18213599 0.82 KDM4E (0.43) KDM4EALDH1A1GAAMAPTPOLB
SCHEMBL18213595 0.81 POLR1A (0.42) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL18213593 0.80 ALDH1A1 (0.41) KDM4EALDH1A1GAAMEN1MAPT

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-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — 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 (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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885GAA 1840/4885

“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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