SCHEMBL16450930

SCHEMBL16450930

N=C(N)Nc1cccc(C(=O)ON2C(=O)CCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 5/20 0.41
PARP1 P09874 2/20 0.40
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
NPC1 O15118 4/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7327634 0.84 HPGD (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9715221 0.83 HPGD (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10076741 0.81 L3MBTL1 (0.45) ALDH1A1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL12092089 0.81 L3MBTL1 (0.54) ALDH1A1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL14860981 0.80 MAPK1 (0.48) ALDH1A1LMNAMAPTL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL9715397 0.78 F10 (0.42) F10
SCHEMBL7975430 0.78 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4393639 0.76 TSHR (0.45) ALDH1A1PARP10LMNAMEN1KMT2A
SCHEMBL13248996 0.76 MAPT (0.46) ALDH1A1RAB9APARP1PARP15PARP10
SCHEMBL9315250 0.76 MGLL (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT

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-20170022497-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2017-01-26 US disclosed
US-9487556-B2 Polyconjugates for delivery of RNAi triggers to tumor cells in vivo Arrowhead Pharmaceuticals, Inc. (US) 2016-11-08 US disclosed
US-9487556-B2 Polyconjugates for delivery of RNAi triggers to tumor cells in vivo Arrowhead Pharmaceuticals, Inc. (US) 2016-11-08 US disclosed
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2015-02-12 US disclosed
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2015-02-12 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 (2 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-20170022497-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR ALDH1A1 4683/4885RAB9A 2557/4885PARP1 1231/4885
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR ALDH1A1 4683/4885RAB9A 2557/4885PARP1 1231/4885

“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.