SCHEMBL18190983

SCHEMBL18190983

COc1ccc(N(F)F)c(F)c1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.33
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CHUK O15111 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
CSNK2A2 P19784 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
NFE2L2 Q16236 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5633423 0.85 TUBB1 (0.33) TUBB1ALDH1A1L3MBTL1NFE2L2LMNA
SCHEMBL27665453 0.82 TUBB1 (0.35) TUBB1NFE2L2LMNAMAPK1HTT
SCHEMBL11016571 0.77 RAB9A (0.34) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL4300328 0.75 HTR2A (0.41) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL30829726 0.75 HTR2A (0.41) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL27759581 0.74 TUBB1 (0.33) TUBB1NFE2L2LMNAMAPK1HTT
SCHEMBL10578058 0.74 TUBB1 (0.35) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL13578451 0.74 TUBB1 (0.44) TUBB1ALDH1A1L3MBTL1CHUKPRKD3
SCHEMBL27553534 0.73 CYP17A1 (0.35) TUBB1ALDH1A1NFE2L2LMNAMAPK1
SCHEMBL27632292 0.73 TDP1 (0.46) ALDH1A1L3MBTL1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288918-B1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC (US) 2021-10-20 EP disclosed
US-10590081-B2 Guanidine compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-03-17 US disclosed
US-20180093953-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2018-04-05 US disclosed
EP-3288918-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2018-03-07 EP disclosed
WO-2016175357-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2016-11-03 WO disclosed
CN-100349864-C Treating syndrome X with substituted tetralins and indanes JANSSEN PHARMACEUTICA NV (BE) 2007-11-21 CN disclosed
CN-1897936-A Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO INC (US) 2007-01-17 CN disclosed
CN-1726188-A Treatment of syndrome X with substituted 1,2,3, 4-tetrahydronaphthalenes and indanes JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN 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-20180093953-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TUBB1 3652/4885ALDH1A1 1446/4885L3MBTL1 2724/4885
US-10590081-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 TUBB1 3652/4885ALDH1A1 1446/4885L3MBTL1 2724/4885

“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.