SCHEMBL365088

SCHEMBL365088

Brc1nnn(COCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LTA4H P09960 3/20 0.39
MAOB P27338 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AB1 P08238 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GHSR Q92847 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL12359857 0.81 TSHR (0.44) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4405809 0.78 RAB9A (0.62) ALDH1A1RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL12359816 0.77 GHSR (0.40) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20365819 0.75 GHSR (0.39) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16936887 0.72 CYP1A2 (0.41) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL156810 0.71 L3MBTL1 (0.41) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2158738 0.70 TSHR (0.47) TSHRALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL223907 0.65 TSHR (0.78) TSHRALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL5311581 0.65 TSHR (1.00) TSHRALDH1A1CYP1A2CYP2C19LMNA
SCHEMBL27380 0.65 TSHR (1.00) TSHRALDH1A1CYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 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 (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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE TSHR 2870/4885ALDH1A1 2531/4885CYP1A2 221/4885
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 TSHR 278/4885ALDH1A1 2521/4885CYP1A2 4369/4885

“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.