SCHEMBL81532

SCHEMBL81532

Cc1ccc(CCCBr)s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.47
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.39
ADRA1D P25100 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL8107636 0.94 PRMT6 (0.45) PRMT6THRBTP53ADRA1DNPC1
SCHEMBL1040627 0.86
SCHEMBL4422429 0.84 HPGD (0.33) ALDH1A1HPGD
SCHEMBL9508187 0.82 PRMT6 (0.37) PRMT6THRBTP53ADRA1DNPC1
SCHEMBL1523312 0.81
SCHEMBL23665620 0.81 PRMT6 (0.58) PRMT6THRBTP53ADRA1DNPC1
SCHEMBL9479561 0.80 PRMT6 (0.48) PRMT6THRBTP53ADRA1DMEN1
SCHEMBL21722994 0.78 PRMT6 (0.47) PRMT6THRBTP53ADRA1DNPC1
SCHEMBL79698 0.78 PRMT6 (0.47) PRMT6THRBTP53ADRA1DNPC1
SCHEMBL19438869 0.78 PRMT6 (0.47) PRMT6NPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170918-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL CO INC (US) 2018-06-21 US disclosed
US-9914725-B2 Methods of synthesizing a difluorolactam analog CAYMAN CHEMICAL COMPANY, INC. (US) 2018-03-13 US disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20160060253-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG CAYMAN CHEMICAL COMPANY, INC. 2016-03-03 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20180170918-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR PRMT6 840/4885THRB 1231/4885TP53 3135/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C PRMT6 574/4885THRB 1455/4885TP53 968/4885
US-20160060253-A1 METHODS OF SYNTHESIZING A DIFLUOROLACTAM ANALOG PTGER4, PTGER1, PTGIR PRMT6 840/4885THRB 1231/4885TP53 3135/4885

“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.