SCHEMBL15425129

SCHEMBL15425129

N=C(/C=C(\N)c1ccc2c(c1)OCO2)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 5/20 0.55
PKM P14618 2/20 0.55
ATM Q13315 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
C1S P09871 1/20 0.44
POLB P06746 2/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
MAOB P27338 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MAPK1 P28482 2/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39

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
SCHEMBL19006231 1.00 RAB9A (0.55) RAB9AMAPTNPC1PKMATM
SCHEMBL2281973 0.76 NPC1 (0.57) RAB9AMAPTNPC1PKMATM
SCHEMBL932685 0.73 NPC1 (0.57) RAB9AMAPTNPC1PKMATM
SCHEMBL1660203 0.72 CTNNB1 (0.61) RAB9AMAPTNPC1PKMATM
SCHEMBL2968032 0.70 PLAU (0.58) RAB9AMAPTNPC1PKMKMT2A
Hydrochloric Acid SCHEMBL3102294 0.68 PLAU (0.57) RAB9AMAPTNPC1PKMKMT2A
SCHEMBL4784460 0.67 NPC1 (0.64) RAB9AMAPTNPC1PKMATM
SCHEMBL22373684 0.65 PRSS1 (0.62) PKMC1SKMT2AMAOA
SCHEMBL20997682 0.65 C1S (0.59) MAPTC1SPOLBMAPK1ALDH1A1
SCHEMBL423581 0.64 C1S (1.00) PKMC1SKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2016-06-30 US disclosed
EP-2684873-A1 DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES Ludwig-Maximilians-Universität München (DE) 2014-01-15 EP disclosed
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. 2011-12-01 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-20160185730-A1 DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, APP, HYPK RAB9A 1574/4885MAPT 8/4885NPC1 363/4885
US-20110293520-A1 NEW DRUG FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES PARK7, HYPK, IK RAB9A 954/4885MAPT 40/4885NPC1 339/4885

“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.