SCHEMBL2967910

SCHEMBL2967910

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ HPGD P15428 5/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ TP53 P04637 2/20 0.65
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ NR2E3 Q9Y5X4 1/20 0.55
▸ CBFB Q13951 4/20 0.50
▸ SLC2A1 P11166 1/20 0.49
▸ SYK P43405 1/20 0.47
▸ METAP2 P50579 2/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ PKM P14618 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
SCHEMBL2978014 0.85 KDM4E (0.65) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2962892 0.84 NPC1 (0.58) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL13203469 0.74 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL8352834 0.74 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2974133 0.74 METAP2 (0.80) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2978439 0.74 CBFB (0.80) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13203406 0.73 NPC1 (0.76) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL1514630 0.72 KDM4E (0.71) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL4496201 0.72 TP53 (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2242067 0.71 NR2E3 (0.60) ALDH1A1HPGDKDM4ENPC1RAB9A

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 ALDH1A1 1723/4885HPGD 3508/4885KDM4E 422/4885

“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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