SCHEMBL3515359

SCHEMBL3515359

N#Cc1cc(I)ccc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
METAP1 P53582 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13261822 0.82 METAP2 (0.50) KDM4EMETAP1ALDH1A1MAPTGRM5
SCHEMBL5077827 0.81 KDM4E (0.41) KDM4EMETAP1POLBLMNACCR1
SCHEMBL3517184 0.81 KDM1A (0.43) KDM4EMETAP1POLBLMNACCR1
SCHEMBL25427301 0.81 ESR2 (0.47) KDM4EMETAP1POLBLMNACCR1
SCHEMBL28371479 0.79 ALDH1A1 (0.46) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL973015 0.79 GRIA1 (0.51) KDM4EMETAP1POLBLMNACCR1
SCHEMBL31070227 0.79 GRIA1 (0.51) KDM4EMETAP1POLBLMNACCR1
SCHEMBL30102603 0.79 GRIA1 (0.51) KDM4EMETAP1POLBLMNACCR1
SCHEMBL5826054 0.78 GRIA1 (0.50) KDM4EMETAP1POLBLMNACCR1
SCHEMBL28371574 0.77 NPC1 (0.46) POLBCCR1CCR5CCR8ALDH1A1

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
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR KDM4E 4142/4885METAP1 2007/4885POLB 4856/4885

“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.