SCHEMBL129245

SCHEMBL129245

[CH2]Cc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.42
DAO P14920 1/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
MAOB P27338 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 2/20 0.38
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MPO P05164 1/20 0.36
PTGS1 P23219 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
SCHEMBL5375818 0.81 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL146619 0.80 PSEN1 (0.43) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3298107 0.79 IDO1 (0.58) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7700904 0.79 IDO1 (0.58) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8714549 0.78 IDO1 (0.47) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27875053 0.77 IDO1 (0.56) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL284327 0.77 IDO1 (0.56) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3765889 0.76 P2RX7 (0.37) IDO1AGXTMAOBPTGS1PTGS2
SCHEMBL2764669 0.76 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL11306662 0.76 TYR (0.48) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
EP-4185564-A1 TRICYCLIC HETEROCYCLES Merck Patent GmbH (DE) 2023-05-31 EP claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO claimed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
EP-4146652-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS Merck Patent GmbH (DE) 2023-03-15 EP claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US claimed
EP-1551834-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2005-07-13 EP claimed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO claimed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US claimed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US claimed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 WO claimed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 US claimed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 WO claimed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 US claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA IDO1 2392/4885AGXT 382/4885KDM4E 2704/4885
US-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R IDO1 740/4885AGXT 4456/4885KDM4E 2258/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 IDO1 1285/4885AGXT 3690/4885KDM4E 1204/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 IDO1 3982/4885AGXT 3334/4885KDM4E 2608/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R IDO1 711/4885AGXT 4468/4885KDM4E 1925/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA IDO1 2392/4885AGXT 382/4885KDM4E 2704/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 IDO1 1285/4885AGXT 3690/4885KDM4E 1204/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP IDO1 3847/4885AGXT 3336/4885KDM4E 2269/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R IDO1 452/4885AGXT 2538/4885KDM4E 1783/4885

“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.