SCHEMBL4859876

SCHEMBL4859876

NOCCNc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
IDO1 P14902 3/20 0.43
KCNH3 Q9ULD8 3/20 0.41
F2 P00734 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
AGXT P21549 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CTSD P07339 1/20 0.36

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
Hydrochloric Acid SCHEMBL7054142 0.98 MAPT (0.54) MAPTALDH1A1L3MBTL1IDO1KCNH3
SCHEMBL27514149 0.83 ALDH1A1 (0.52) MAPTALDH1A1L3MBTL1IDO1KCNH3
SCHEMBL3248804 0.81 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1KCNH3F2
SCHEMBL27399876 0.80 IDO1 (0.45) MAPTALDH1A1L3MBTL1IDO1KCNH3
SCHEMBL632952 0.77 KCNH3 (0.62) MAPTALDH1A1L3MBTL1KCNH3CYP1A2
SCHEMBL232188 0.77 MAPT (0.78) MAPTALDH1A1L3MBTL1IDO1TDP1
SCHEMBL8725186 0.76 DRD4 (0.61) MAPTALDH1A1L3MBTL1F2
SCHEMBL25192583 0.75 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1KCNH3TDP1
SCHEMBL19628899 0.75 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1KCNH3TDP1
SCHEMBL6416019 0.75 MAPT (0.74) MAPTALDH1A1L3MBTL1IDO1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
CN-1219753-C Oxygenated esters of 4-iodophenylamino phenoxy hydroxamic acid WARNER LAMBERT CO (US) 2005-09-21 CN disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
CN-1446197-A Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER LAMBERT CO (US) 2003-10-01 CN disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 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 (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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 MAPT 4731/4885ALDH1A1 157/4885L3MBTL1 4459/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO MAPT 4367/4885ALDH1A1 200/4885L3MBTL1 3825/4885

“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.