Sugi Predict

Sugi Predict / Compounds / SCHEMBL6715281

SCHEMBL6715281

SCHEMBL6715281

CCC1=C(C(=O)O)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(OC)=N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ CACNA1D Q01668 1/20 0.35
▸ CACNA1S Q13698 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ MGLL Q99685 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ TDP2 O95551 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL6715274 1.00 BCL9 (0.35) BCL9CTNNB1CACNA1FCACNA1DCACNA1S
SCHEMBL6646229 0.92 ADRA1D (0.39) BCL9CTNNB1CACNA1FCACNA1DCACNA1S
SCHEMBL6216267 0.88 PDE1C (0.38) CACNA1FCACNA1DCACNA1SCACNA1CMGLL
SCHEMBL8523310 0.86 CACNA1F (0.39) BCL9CTNNB1CACNA1FCACNA1DCACNA1S
SCHEMBL6784838 0.85 ADRA1A (0.39) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6194063 0.83 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL7978679 0.82 PDE1C (0.39) CACNA1FCACNA1DCACNA1SCACNA1CMGLL
SCHEMBL6782160 0.79 ADRA1A (0.36) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL4294571 0.79 MGLL (0.42) CACNA1FCACNA1DCACNA1SCACNA1CMGLL
SCHEMBL6196841 0.77 MEN1 (0.35) CACNA1FCACNA1DCACNA1SCACNA1CMGLL

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-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 — — US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 — — US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 — — US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 — — US 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 (3 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-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R BCL9 4695/4885CTNNB1 4604/4885CACNA1F 3536/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R BCL9 4506/4885CTNNB1 4568/4885CACNA1F 3302/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R BCL9 4018/4885CTNNB1 4777/4885CACNA1F 4253/4885

“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.