SCHEMBL3518708

SCHEMBL3518708

O=C(O)CCc1nnc(-c2ccc(F)c(F)c2)o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.60
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
MAPT P10636 1/20 0.41
LIPG Q9Y5X9 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
SCHEMBL3517190 0.82 KMT2A (0.54) NR1H4ALDH1A1LMNARAB9ANPC1
SCHEMBL1544685 0.80 RXRA (0.60) NR1H4ALDH1A1LMNARAB9ANPC1
SCHEMBL561946 0.79 NR1H4 (0.69) NR1H4ALDH1A1LMNARAB9ANPC1
SCHEMBL20721702 0.77 MAPT (0.64) NR1H4ALDH1A1LMNARAB9ANPC1
SCHEMBL3491221 0.75 GSK3B (0.60) NR1H4ALDH1A1KDM4E
SCHEMBL6325809 0.74 TSHR (0.69) ALDH1A1LMNARAB9ATSHR
SCHEMBL24073125 0.73 NR1H4 (0.64) NR1H4ALDH1A1RAB9ANPC1KMT2A
SCHEMBL9257912 0.73 NR1H4 (0.61) NR1H4ALDH1A1RAB9ANPC1KMT2A
SCHEMBL10102734 0.69 HDAC8 (0.65) NR1H4ALDH1A1LMNARAB9ANPC1
SCHEMBL1200015 0.69 POLB (0.44) ALDH1A1LMNARAB9ANPC1KMT2A

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 7 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-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
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
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US 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 NR1H4 362/4885ALDH1A1 4808/4885LMNA 3141/4885

“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.