SCHEMBL1245112

SCHEMBL1245112

CCOC(=O)c1nccc([N+](=O)[O-])c1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MITF O75030 2/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
BRD4 O60885 1/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 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
SCHEMBL4062401 0.80 RAB9A (0.38) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6597210 0.78 MAPT (0.60) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL1243697 0.76 NUDT1 (0.44) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL3481182 0.76 ALDH1A1 (0.52) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL5481728 0.75 MAPT (0.48) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL15758551 0.74 NUDT1 (0.47) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6806977 0.73 KMT2A (0.54) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL28542359 0.73 MAPT (0.45) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL28042070 0.73 SMN1; SMN2 (0.45) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL1245682 0.72 ALDH1A1 (0.48) MAPTNPC1RAB9ANFKB1MAPK1

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
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 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 (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-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF DPYD, QDPR, DHPS MAPT 3640/4885NPC1 3168/4885RAB9A 3097/4885

“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.