Sugi Predict

Sugi Predict / Compounds / SCHEMBL3832012

SCHEMBL3832012

SCHEMBL3832012

CC(C)N(C)c1nc2ccc(NC(=O)c3nc(-c4ccccc4F)no3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL13817998 0.91 MCHR1 (0.60) MCHR1SMN1; SMN2MAPT
SCHEMBL4479744 0.86 MCHR1 (0.59) MCHR1NR2E3KMT2AHDAC6MAPT
SCHEMBL3837280 0.86 MCHR1 (0.68) MCHR1SMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL3835961 0.85 MCHR1 (0.60) MCHR1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3831980 0.82 MCHR1 (0.67) MCHR1SMN1; SMN2
SCHEMBL3837618 0.81 MCHR1 (0.78) MCHR1
SCHEMBL3834759 0.75 MCHR1 (0.67) MCHR1SMN1; SMN2GAAALDH1A1RAB9A
SCHEMBL13818008 0.73 MCHR1 (0.81) MCHR1SMN1; SMN2NR2E3ALDH1A1NPC1
SCHEMBL3833336 0.72 MCHR1 (0.70) MCHR1SMN1; SMN2NR2E3NPC1RAB9A
SCHEMBL3834768 0.72 MCHR1 (0.83) MCHR1SMN1; SMN2NR2E3ALDH1A1NPC1

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 6 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-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-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 2/4885SMN1; SMN2 4485/4885GAA 477/4885

“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.