SCHEMBL345717

SCHEMBL345717

COc1cc(CBr)cc([N+](=O)[O-])c1O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
MAPT P10636 6/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP2D6 P10635 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
GRM8 O00222 1/20 0.52
GRM4 Q14833 1/20 0.52
EGFR P00533 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
TTR P02766 1/20 0.49
JUN P05412 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7031564 0.89 RAB9A (0.60) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL8297049 0.87 RAB9A (0.59) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL20614246 0.86 RAB9A (0.57) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL15649780 0.84 RAB9A (0.56) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL10751886 0.84 RAB9A (0.53) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL13000171 0.83 TUBB4A (0.47) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10729232 0.83 RAB9A (0.55) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL11158875 0.83 RAB9A (0.55) RAB9AMAPTKDM4EALDH1A1CYP2D6
SCHEMBL12777065 0.82 SMN1; SMN2 (0.45) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL10729189 0.82 GABRA1 (0.65) RAB9AMAPTKDM4EALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408789-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES Centre National De La Recherche Scientifique CNRS (FR) 2012-01-25 EP disclosed
US-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 US disclosed
WO-2010106526-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-23 WO 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-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES PTH1R, P4HA1, FGF23 RAB9A 1883/4885MAPT 4645/4885KDM4E 2516/4885

“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.