SCHEMBL18539760

SCHEMBL18539760

CC(C)NCc1ccc(P(C)(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ITGB1 P05556 2/20 0.36
ITGA5 P08648 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
PRKD1 Q15139 1/20 0.35
ACP3 P15309 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL13538579 0.83 ACP3 (0.41) PARP1LTA4HALDH1A1LMNACYP1A2
SCHEMBL3271284 0.81 SIGMAR1 (0.48) PARP1LTA4HALDH1A1LMNACYP1A2
SCHEMBL19529577 0.81 LTA4H (0.37) PARP1LTA4HALDH1A1LMNACYP1A2
SCHEMBL18550519 0.78 LOXL2 (0.47) PARP1ALDH1A1LMNACYP1A2ALOX15
SCHEMBL13538576 0.78 MEN1 (0.41) PARP1LTA4HALDH1A1LMNACYP1A2
SCHEMBL18551430 0.76 HPGD (0.32)
SCHEMBL10262287 0.75 CYP1A2 (0.53) PARP1LTA4HALDH1A1CYP1A2SIGMAR1
SCHEMBL13164692 0.74 ALDH1A1 (0.49) PARP1LTA4HALDH1A1LMNACYP1A2
SCHEMBL8443205 0.73 LMNA (0.48) PARP1LTA4HALDH1A1LMNAALOX15
SCHEMBL3440308 0.73 LOXL2 (0.50) PARP1LTA4HALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221202-B2 Annelated phenoxyacetamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
US-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INT (DE) 2017-11-02 US disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 US disclosed
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 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 (3 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-20170313732-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC PARP1 2763/4885LTA4H 2119/4885ALDH1A1 113/4885
US-10221202-B2 Annelated phenoxyacetamides EP300, NAT1, REN PARP1 2056/4885LTA4H 2689/4885ALDH1A1 179/4885
US-20170050992-A1 NOVEL ANNELATED PHENOXYACETAMIDES EP300, NAT1, AADAC PARP1 2582/4885LTA4H 1920/4885ALDH1A1 144/4885

“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.