SCHEMBL3837334

SCHEMBL3837334

CC(C)N(C)c1nc2ccc(NC(=O)c3cc(-c4ccnc(F)c4)ccn3)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.65
AAK1 Q2M2I8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL3837969 0.91 MCHR1 (0.68) MCHR1AAK1ATMMAPTSMN1; SMN2
SCHEMBL3831853 0.82 MCHR1 (0.84) MCHR1ALDH1A1GAANR2E3SMN1; SMN2
SCHEMBL13817977 0.79 MCHR1 (0.74) MCHR1ATMMAPTSMN1; SMN2KDR
SCHEMBL3831881 0.79 MCHR1 (1.00) MCHR1ALDH1A1GAANR2E3SMN1; SMN2
Hydrochloric Acid SCHEMBL3834614 0.78 MCHR1 (0.98) MCHR1ALDH1A1GAANR2E3SMN1; SMN2
SCHEMBL3834725 0.78 MCHR1 (0.76) MCHR1NR2E3MAPTSMN1; SMN2KDR
SCHEMBL3833336 0.78 MCHR1 (0.70) MCHR1ATMNR2E3MAPTSMN1; SMN2
SCHEMBL3831523 0.77 MCHR1 (0.82) MCHR1ATMMAPTSMN1; SMN2KDR
SCHEMBL3833974 0.77 MCHR1 (1.00) MCHR1NR2E3SMN1; SMN2KDR
SCHEMBL3834740 0.77 MCHR1 (0.83) MCHR1KDM4EALDH1A1HPGDNR2E3

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-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 2/4885AAK1 736/4885KDM4E 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.