SCHEMBL4278243

SCHEMBL4278243

BrCc1cnc(-c2ccccc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
RAB9A P51151 8/20 0.46
MEN1 O00255 1/20 0.46
MITF O75030 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9863750 0.81 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL4652514 0.81 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL24784588 0.81 HDAC1 (0.55) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL12827256 0.81 CYP11B1 (0.55) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL5542313 0.81 ALOX15 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL2292334 0.80 APP (0.44) ALOX15TSHRCASP1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9512459 0.79 ALOX15 (0.52) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL14382237 0.78 HDAC1 (0.53) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL10184678 0.78 HDAC1 (0.56) ALOX15TSHRCASP1CYP11B1CYP11B2
SCHEMBL5535861 0.78 HDAC1 (0.52) ALOX15TSHRCASP1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2020-02-06 US disclosed
EP-3515447-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE Tufts University (US) 2019-07-31 EP disclosed
WO-2018058148-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2018-03-29 WO disclosed
WO-2018058148-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2018-03-29 WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 US disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 EP disclosed
EP-1578735-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS Pfizer Limited (GB) 2005-09-28 EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 WO disclosed
US-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders DACK KEVIN NEIL (GB) 2004-07-15 US disclosed
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 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 (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-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 ALOX15 2624/4885TSHR 105/4885CASP1 3050/4885
US-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders MME, ECE1, ECE2 ALOX15 1575/4885TSHR 3192/4885CASP1 1732/4885
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS ALOX15 1475/4885TSHR 3680/4885CASP1 3203/4885

“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.