SCHEMBL3750325

SCHEMBL3750325

O=C(O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
TSHR P16473 3/20 0.55
USP2 O75604 1/20 0.55
PKM P14618 2/20 0.54
MAPK1 P28482 3/20 0.53
HDAC3 O15379 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL10448598 0.94 POLB (0.54) POLBTDP1NPC1RAB9ATSHR
SCHEMBL9844474 0.89 MAPK1 (0.60) POLBTDP1NPC1RAB9ATSHR
SCHEMBL14397794 0.88 NPC1 (0.50) POLBTDP1NPC1RAB9ATSHR
SCHEMBL7129964 0.86 ALOX5 (0.66) NPC1RAB9ATSHRMAPK1HDAC3
SCHEMBL11532673 0.85 NPC1 (0.59) POLBNPC1RAB9ATSHRMAPK1
SCHEMBL8504937 0.84 KMT2A (0.68) NPC1RAB9AMAPK1HDAC3ADRA1A
SCHEMBL3130089 0.84 NPC1 (0.53) TDP1NPC1RAB9ATSHRMAPK1
SCHEMBL3130096 0.84 ALDH1A1 (0.54) NPC1RAB9ATSHRMAPK1HDAC3
SCHEMBL10777558 0.84 LTB4R2 (0.59) NPC1RAB9ATSHRPKMMAPK1
SCHEMBL3125806 0.82 NPC1 (0.52) TDP1NPC1RAB9ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 POLB 1637/4885TDP1 3130/4885NPC1 46/4885

“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.