SCHEMBL2315674

SCHEMBL2315674

O=C(CBr)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
CPA1 P15085 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
FOLH1 Q04609 1/20 0.41
EPHX2 P34913 1/20 0.41
TEAD3 Q99594 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL20378894 0.90 FFAR1 (0.46) TSHRSMN1; SMN2HTTLMNAKMT2A
SCHEMBL7708032 0.89 TSHR (0.56) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL20378909 0.88 EPHX2 (0.50) TSHRSMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL20378787 0.87 EPHX2 (0.52) TSHRSMN1; SMN2HTTTDP1L3MBTL1
SCHEMBL15862001 0.84 NPC1 (0.50) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL28739368 0.84 ALDH1A1 (0.52) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL20379005 0.83 GSK3B (0.42) SMN1; SMN2ALDH1A1LMNATDP1MAPK1
SCHEMBL12655265 0.82 TSHR (0.48) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL8316692 0.82 SMN1; SMN2 (0.49) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL24737439 0.81 TSHR (0.52) TSHRCPA1ALDH1A1TDP1MAPK1

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
WO-2025077671-A1 POLYSUBSTITUTED ARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2025-04-17 WO disclosed
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2018-07-19 US disclosed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 WO disclosed
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 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-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 TSHR 949/4885SMN1; SMN2 4592/4885HTT 4635/4885
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 TSHR 168/4885SMN1; SMN2 2953/4885HTT 4619/4885
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS NAT1, DPM1, IL4I1 TSHR 4424/4885SMN1; SMN2 2798/4885HTT 2916/4885

“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.