SCHEMBL4704852

SCHEMBL4704852

CC(=O)NCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.82
▸ KMT2A Q03164 6/20 0.82
▸ LMNA P02545 1/20 0.82
▸ CYP1A2 P05177 1/20 0.82
▸ PKM P14618 1/20 0.82
▸ TSHR P16473 1/20 0.82
▸ CYP2C19 P33261 1/20 0.82
▸ BLM P54132 1/20 0.82
▸ AANAT Q16613 1/20 0.70
▸ MTNR1A P48039 2/20 0.67
▸ MMP9 P14780 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ SIRT1 Q96EB6 2/20 0.60
▸ GALR3 O60755 1/20 0.59

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
Nb-Acetyltryptamine SCHEMBL468850 0.90 MEN1 (1.00) MEN1KMT2ALMNACYP1A2PKM
Nb-Acetyltryptamine SCHEMBL29669230 0.89 MEN1 (0.97) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL761155 0.85 MTNR1A (0.76) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL31114206 0.85 MTNR1A (0.76) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL12762819 0.84 MEN1 (0.76) MEN1KMT2ALMNACYP1A2PKM
Hydrochloric Acid SCHEMBL3826492 0.84 MTNR1A (0.74) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL761481 0.84 MTNR1A (0.88) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL7677886 0.83 MEN1 (0.84) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL5903804 0.83 AANAT (0.77) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL10069200 0.83 AANAT (0.77) MEN1KMT2ALMNACYP1A2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390367-B1 DIHYDROIMIDAZO 5,1-A -$G(b)-CARBOLINE DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINE MACEF (FR) 2008-07-09 — — EP disclosed
US-7291627-B2 Dihydroimidazo[5.1-a]-beta-carboline derivatives, method for their preparation, and their application as a drug MACEF (FR) 2007-11-06 — — US disclosed
WO-2007101863-A1 THERAPEUTIC COMBINATION OF A 5HT2 RECEPTOR ANTAGONIST AND OF A 5HT2 RECEPTOR ACTIVATOR MACEF (FR) 2007-09-13 — — WO disclosed
US-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine MACEF (FR) 2006-04-27 — — 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-20060089372-A1 Dihydroimidazo[5,1-a]sg(b)-carboline derivatives, method for preparing same and use thereof as medicine GDI2, GDI1, CYP2A7 MEN1 2370/4885KMT2A 789/4885LMNA 3198/4885

“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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