SCHEMBL4188436

SCHEMBL4188436

COc1ccc(N(Cc2cccnc2)c2ccc(C(=O)O)cc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PDK1 Q15118 6/20 0.46
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GRM2 Q14416 1/20 0.43
TP53 P04637 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
SCHEMBL4198518 0.92 GRM2 (0.47) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL4190538 0.91 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL1157560 0.90 PDE4A (0.49) ALDH1A1L3MBTL1NPSR1USP2PDK1
SCHEMBL2908505 0.88 NPC1 (0.47) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL2905935 0.88 HTT (0.48) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL4193526 0.87 L3MBTL1 (0.48) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL3129550 0.87 TSHR (0.52) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL2910364 0.86 TAS2R14 (0.46) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL4191189 0.86 RXRA (0.49) ALDH1A1L3MBTL1NPSR1USP2CYP1A2
SCHEMBL3131330 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1USP2CYP1A2

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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A ALDH1A1 221/4885L3MBTL1 3540/4885NPSR1 1018/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A ALDH1A1 221/4885L3MBTL1 3540/4885NPSR1 1018/4885

“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.