SCHEMBL16625815

SCHEMBL16625815

O=[N+]([O-])c1cc(C[C@@H]2NCCc3cc(CO)ccc32)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.78
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ABL1 P00519 1/20 0.54
ALPL P05186 1/20 0.54
GAA P10253 1/20 0.54
RIN1 Q13671 1/20 0.54
KDM1A O60341 1/20 0.48
ADRB2 P07550 3/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5899091 0.88 TBXA2R (1.00) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL16627011 0.85 TBXA2R (0.72) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL16625835 0.81 DRD2 (0.60) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL16625833 0.79 DRD2 (0.61) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL11921687 0.79 DRD2 (0.61) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL1736272 0.75 POLB (0.62) TBXA2RKDM4EMAPT
SCHEMBL13589712 0.73 DRD2 (0.52) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL10348610 0.73 DRD2 (0.78) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL16625824 0.71 DRD2 (0.47) TBXA2RDRD2DRD4MEN1KMT2A
SCHEMBL11921686 0.71 GAA (0.47) TBXA2RDRD2DRD4MEN1KMT2A

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-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 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-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP TBXA2R 2503/4885DRD2 2522/4885DRD4 2290/4885

“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.