SCHEMBL3834740

SCHEMBL3834740

CC(C)N(C)c1nc2ccc(NC(=O)c3cnc(-c4ccccc4)cn3)cc2[nH]1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.83
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR2E3 Q9Y5X4 4/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3831881 0.91 MCHR1 (1.00) MCHR1RAB9AALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL3834614 0.90 MCHR1 (0.98) MCHR1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3837219 0.87 MCHR1 (0.71) MCHR1RAB9AKDM4EALDH1A1NPC1
SCHEMBL13818000 0.87 MCHR1 (1.00) MCHR1MAPTPOLBMAPK1
SCHEMBL3885981 0.87 MCHR1 (0.77) MCHR1MAPTNR2E3
SCHEMBL13818008 0.84 MCHR1 (0.81) MCHR1RAB9AKDM4EALDH1A1NPC1
SCHEMBL3831853 0.81 MCHR1 (0.84) MCHR1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3834768 0.80 MCHR1 (0.83) MCHR1RAB9AKDM4EALDH1A1NPC1
SCHEMBL3831758 0.79 MCHR1 (0.82) MCHR1RAB9AKDM4EALDH1A1NPC1
SCHEMBL3834858 0.78 MCHR1 (1.00) MCHR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553089-B1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMA CO LTD (JP) 2009-09-30 EP claimed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US claimed
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD (JP) 2005-10-06 US claimed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP claimed
EP-1553089-B1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMA CO LTD (JP) 2009-09-30 EP disclosed
US-7541477-B2 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-02 US disclosed
US-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient BANYU PHARMACEUTICAL CO., LTD (JP) 2005-10-06 US disclosed
EP-1553089-A1 ANTAGONIST OF MELANIN-CONCENTRATING HORMONE RECEPTOR COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP 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-20050222161-A1 Antagonists to melanin-concentrating hormone receptor comprising benzimidazole derivative as active ingredient MC1R, MCHR1, MCHR2 MCHR1 2/4885RAB9A 2554/4885KDM4E 3237/4885

“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.