SCHEMBL6786317

SCHEMBL6786317

NCCCc1cccc2nc(-c3ccccc3)oc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.62
MTNR1B P49286 13/20 0.62
DHODH Q02127 1/20 0.49
ELANE P08246 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR8 Q9NR97 2/20 0.41
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL5123782 0.80 DHODH (0.59) MTNR1AMTNR1BDHODHELANEKDM4E
SCHEMBL5117220 0.79 MTNR1A (0.57) MTNR1AMTNR1BDHODHELANEKDM4E
SCHEMBL6791342 0.79 MTNR1A (0.55) MTNR1AMTNR1BDHODHELANEKDM4E
SCHEMBL6780473 0.78 MTNR1A (0.61) MTNR1AMTNR1BELANETLR8
SCHEMBL6789561 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6785926 0.77 MTNR1A (0.65) MTNR1AMTNR1BTLR8
SCHEMBL6790804 0.76 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6786760 0.76 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6783328 0.75 MTNR1A (0.63) MTNR1AMTNR1BTLR8
SCHEMBL6786432 0.74 MTNR1A (0.64) MTNR1AMTNR1BTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737431-B2 SUCH AS N-(3-(2-METHYLBENZOXAZOL-7-YL)PROPYL)PROPANAMIDE; CIRCADIAN RHYTHM RELATED DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US disclosed
US-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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 (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-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents MTNR1A, MTNR1B, MC1R MTNR1A 1/4885MTNR1B 2/4885DHODH 4368/4885

“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.