SCHEMBL1670216

SCHEMBL1670216

COc1ccc(Br)cc1C1OCCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL3686228 0.93 KMT2A (0.45) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL1704526 0.86 NPC1 (0.39) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL7093467 0.81 ACHE (0.48) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL83692 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL18908535 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1NPC1POLB
SCHEMBL25385726 0.80 NPY1R (0.33) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7053663 0.79 NPC1 (0.39) ALDH1A1NPC1RAB9ASLC6A2SLC6A4
SCHEMBL7090123 0.79 KDM4E (0.42) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL25386051 0.79 CCR5 (0.47) MEN1KMT2ANPC1RAB9ASLC6A4
SCHEMBL30377559 0.79 CCR5 (0.47) MEN1KMT2ANPC1RAB9ASLC6A4

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
US-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2021-09-16 US disclosed
EP-3523293-B1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS ABBVIE OVERSEAS SARL (LU) 2021-06-16 EP disclosed
EP-3523293-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS Abbvie S.a.r.l. (LU) 2019-08-14 EP disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
WO-2018065962-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS AbbVie S.à.r.l. (LU) 2018-04-12 WO disclosed
US-20180099931-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-04-12 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
WO-2006063820-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2006-06-22 WO disclosed
EP-1379234-B1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2006-03-29 EP disclosed
US-6919336-B2 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF NOVARTIS AG (CH) 2005-07-19 US disclosed
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf NOVARTIS AG (CH) 2004-05-20 US disclosed
EP-1379234-A1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF Novartis AG (CH) 2004-01-14 EP disclosed
EP-0665843-B1 SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2003-08-13 EP disclosed
WO-2002076447-A1 HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2002-10-03 WO disclosed
US-5837711-A Substituted quinuclidines as substance P antagonists PFIZER INC. (US) 1998-11-17 US disclosed
EP-0665843-A1 SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994010170-A1 SUBSTITUTED QUINUCLIDINES AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1994-05-11 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-20210284638-A1 ALPHAvBETA1 INTEGRIN ANTAGONISTS ITGB1, ITGAV, ITGA1 MEN1 2589/4885KMT2A 3675/4885ALDH1A1 441/4885
US-20180099931-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 MEN1 3254/4885KMT2A 1882/4885ALDH1A1 586/4885
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf TNF, NFKBIA, IL1A MEN1 1320/4885KMT2A 1573/4885ALDH1A1 299/4885

“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.