SCHEMBL4848138

SCHEMBL4848138

c1ccc(-c2cc(OCc3cccnc3)c3cnccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.61
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDPK1 O15530 1/20 0.48
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ACP1 P24666 2/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL6801328 0.81 IKBKB (0.54) IKBKBHTR1ADRD2MEN1KMT2A
SCHEMBL30573105 0.76 IKBKB (0.46) IKBKBHTR1ADRD2CYP11B1CYP11B2
SCHEMBL26607248 0.76 IKBKB (0.46) IKBKBHTR1ADRD2CYP11B1CYP11B2
SCHEMBL5856572 0.74 SMN1; SMN2 (0.46) MEN1KMT2ACYP19A1ALDH1A1KDM4E
SCHEMBL2799473 0.73 DHODH (0.57) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL10041864 0.72 KDM4E (0.52) MEN1KMT2AALDH1A1KDM4EACP1
SCHEMBL26606885 0.72 RXRA (0.42) IKBKBPDPK1CYP11B1CYP11B2CYP19A1
SCHEMBL4848344 0.71 CYP2C9 (0.50) MEN1KMT2AALDH1A1KDM4EACP1
SCHEMBL28244417 0.70 MAPK1 (0.62) IKBKBHTR1ADRD2MEN1KMT2A
SCHEMBL14034296 0.69 ALDH1A1 (0.54) MEN1KMT2ACYP19A1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
WO-2002000623-A2 ARYL FUSED SUBSTITUTED 4-OXY-PYRIDINES NEUROGEN CORPORATION (US) 2002-01-03 WO claimed
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 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 (2 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-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 IKBKB 2129/4885HTR1A 59/4885DRD2 175/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 IKBKB 1942/4885HTR1A 50/4885DRD2 175/4885

“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.