SCHEMBL4284613

SCHEMBL4284613

COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)NC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.55
ALDH1A1 P00352 2/20 0.51
KCNH2 Q12809 1/20 0.50
PGR P06401 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
IGF2BP2 Q9Y6M1 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ELANE P08246 1/20 0.46
PRTN3 P24158 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
HPSE Q9Y251 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL13748324 0.92 SERPINE1 (0.57) SERPINE1ALDH1A1PGRNR1H4HDAC1
SCHEMBL4269233 0.91 SERPINE1 (0.60) SERPINE1ALDH1A1MAPTIGF2BP2NR1H4
SCHEMBL4281119 0.91 SERPINE1 (0.57) SERPINE1ALDH1A1PGRMAPTNR1H4
SCHEMBL4271457 0.89 SERPINE1 (0.55) SERPINE1ALDH1A1PGRIGF2BP2NR1H4
SCHEMBL4276696 0.84 NR1H4 (0.53) SERPINE1ALDH1A1NPC1RAB9ANR1H4
SCHEMBL4276293 0.84 HPGD (0.55) SERPINE1ALDH1A1PGRMAPTNPC1
SCHEMBL4273626 0.84 SERPINE1 (0.49) SERPINE1ALDH1A1MAPTRAB9ANR1H4
SCHEMBL4284605 0.83 SERPINE1 (0.54) SERPINE1ALDH1A1KCNH2NPC1RAB9A
SCHEMBL4268642 0.82 SERPINE1 (0.58) SERPINE1ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL4278030 0.82 STK39 (0.57) SERPINE1ALDH1A1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRISTOL-MYERS SQUIBB COMPANY 2006-06-22 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 (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-20060135619-A1 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents NASP, BRDT, ACR SERPINE1 492/4885ALDH1A1 506/4885KCNH2 2412/4885

“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.