SCHEMBL5564341

SCHEMBL5564341

Nc1ccc(OCCCn2ccnn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.52
ATP4B P51164 1/20 0.52
CYP19A1 P11511 2/20 0.47
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
QPCT Q16769 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NOS1 P29475 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6033167 0.92 LTA4H (0.45) ATP4AATP4BCYP19A1KMT2AMAPT
SCHEMBL13201562 0.87 ATP4A (0.53) ATP4AATP4BCYP19A1KDM4ELMNA
SCHEMBL14189706 0.85 ATP4A (0.52) ATP4AATP4BCYP19A1KMT2AMEN1
SCHEMBL22397927 0.84 MEN1 (0.55) ATP4AATP4BCYP19A1KMT2AMAPT
SCHEMBL5046643 0.84 ATP4A (0.52) ATP4AATP4BCYP19A1KMT2AMAPT
SCHEMBL765017 0.84 QPCT (0.56) ATP4AATP4BCYP19A1KMT2AMAPT
SCHEMBL18837867 0.84 ATP4A (0.52) ATP4AATP4BCYP19A1KMT2AMAPT
SCHEMBL14996228 0.82 ATP4A (0.53) ATP4AATP4BCYP19A1KMT2AMAPT
SCHEMBL5566302 0.81 TBXAS1 (0.55) ATP4AATP4BCYP19A1KMT2AALDH1A1
SCHEMBL16417747 0.81 MEN1 (0.59) ATP4AATP4BCYP19A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP claimed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US claimed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP claimed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US claimed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO claimed
EP-1732543-B1 TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS PTC THERAPEUTICS INC (US) 2017-05-10 EP disclosed
CN-100345845-C Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-10-31 CN disclosed
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
CN-1780830-A Aniline derivatives, process for their preparation and their use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
EP-1622896-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2004-12-16 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 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-20040254217-A1 Aniline derivatives, their manufacture and use as pharmaceutical agents ERBB2, EGFR, ERBB3 ATP4A 3959/4885ATP4B 4542/4885CYP19A1 64/4885

“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.