SCHEMBL4238041

SCHEMBL4238041

CN1C(=O)COCC1Cc1ccc(Oc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
ALOX12 P18054 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PABPC1 P11940 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSPB1 P04792 2/20 0.36
PKM P14618 1/20 0.36
P2RX3 P56373 1/20 0.36
MET P08581 1/20 0.35

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
SCHEMBL4238022 0.91 KMT2A (0.41) RAB9ANPC1KMT2AMEN1ALOX12
SCHEMBL4236831 0.90 RAB9A (0.50) RAB9ANPC1KMT2AMEN1ALOX12
SCHEMBL4510231 0.89 KMT2A (0.43) RAB9ANPC1KMT2AMEN1ALOX12
SCHEMBL4233527 0.86 KDR (0.40) HRH3MET
SCHEMBL4238872 0.85 P2RX3 (0.39) P2RX3MET
SCHEMBL5338964 0.84 KMT2A (0.45) RAB9ANPC1KMT2AMEN1ALOX12
SCHEMBL4503291 0.84 KMT2A (0.45) RAB9ANPC1KMT2AMEN1ALOX12
SCHEMBL4240270 0.83 RAB9A (0.41) RAB9ANPC1KMT2AMEN1ALOX12
SCHEMBL4238865 0.83 GABRP (0.41) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4232416 0.83 HSPB1 (0.36) RAB9AHSPB1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US claimed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 RAB9A 1148/4885NPC1 633/4885KMT2A 1426/4885

“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.