SCHEMBL2978014

SCHEMBL2978014

CCC(=O)Nc1ccc2nc(-c3ccccc3-c3ccccn3)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ HPGD P15428 4/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ TP53 P04637 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CBFB Q13951 5/20 0.48
▸ EGFR P00533 2/20 0.48
▸ SYK P43405 1/20 0.47
▸ METAP2 P50579 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL2967910 0.85 ALDH1A1 (0.65) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2962892 0.79 NPC1 (0.58) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL13203469 0.74 ALDH1A1 (0.67) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8352834 0.74 ALDH1A1 (0.67) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2974133 0.74 METAP2 (0.80) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL2978439 0.74 CBFB (0.80) KDM4EHPGDNPC1RAB9ATP53
SCHEMBL13203406 0.73 NPC1 (0.76) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL1514630 0.72 KDM4E (0.71) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL7795897 0.72 MEN1 (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL8351653 0.72 KDM4E (0.65) KDM4EALDH1A1HPGDNPC1RAB9A

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-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
US-20050038067-A1 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2005-02-17 — — US disclosed
WO-2005002503-A2 ASYMMETRIC BENZIMIDAZOLES AND RELATED COMPOUNDS AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-01-13 — — 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-20050038067-A1 Asymmetric benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNJ1, KCNJ11 KDM4E 422/4885ALDH1A1 1723/4885HPGD 3508/4885

“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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