SCHEMBL1882869

SCHEMBL1882869

COc1ccc(CNC(=O)C(C)(C)N(C(=O)CCl)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ATM Q13315 1/20 0.45
PPIB P23284 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FPR2 P25090 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1884971 0.92 HPGD (0.48) ALDH1A1LMNAKMT2AMAOBATM
SCHEMBL1881365 0.75 KMT2A (0.52) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL1886789 0.74 RNF4 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL14254916 0.71 NPC1 (0.61) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21392800 0.71 ALDH1A1 (0.49) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL20766978 0.71 YAP1 (0.70) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL181181 0.70 ALDH1A1 (0.57) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL506516 0.70 HDAC3 (0.60) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3845087 0.68 ALDH1A1 (0.68) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL18630924 0.68 NPC1 (0.55) GAAALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 US disclosed
US-8519188-B2 Compounds which can be used for the treatment of cancers Marc-Henry Pitty (FR) 2013-08-27 US disclosed
EP-2307017-B1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS PITTY MARC HENRY (FR) 2013-08-14 EP disclosed
EP-2307017-B1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS PITTY MARC HENRY (FR) 2013-08-14 EP disclosed
US-20110104162-A1 Compounds which can be used for the Treatment of Cancers CYTOMICS SYSTEMS (FR) 2011-05-05 US disclosed
WO-2009150248-A1 COMPOUNDS WHICH CAN BE USED FOR THE TREATMENT OF CANCERS CYTOMICS SYSTEMS (FR) 2009-12-17 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-20110104162-A1 Compounds which can be used for the Treatment of Cancers VHL, CYP11B2, SLC10A1 GAA 482/4885ALDH1A1 179/4885LMNA 2955/4885

“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.