SCHEMBL3124398

SCHEMBL3124398

Fc1ccc(CCCl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DAO P14920 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 9/20 0.44
HTR2C P28335 9/20 0.44
MAOB P27338 1/20 0.40
KCNH2 Q12809 5/20 0.40
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.38
NR3C2 P08235 1/20 0.37
GSK3B P49841 1/20 0.36
BACE1 P56817 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
SCHEMBL7700904 0.85 IDO1 (0.58) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1503215 0.81 IDO1 (0.54) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL18263307 0.80 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18482277 0.80 HTR2A (0.41) IDO1HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL1385782 0.79 IDO1 (0.52) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL1116576 0.79 IDO1 (0.57) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL29431834 0.79 IDO1 (0.57) IDO1AGXTDAOKDM4ESMN1; SMN2
SCHEMBL2766520 0.78 CHRNA7 (0.51)
SCHEMBL27753798 0.78 PDPK1 (0.44)
SCHEMBL11772436 0.78 PKM (0.36) IDO1AGXTDAOKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250036-B1 SMALL MOLECULE INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2021-05-12 EP disclosed
WO-2018165520-A1 METALLOENZYME INHIBITOR COMPOUNDS VPS-3, INC. (US) 2018-09-13 WO disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
CN-102234284-A Fluorine-containing ticlopidine analogues, and preparation method and application thereof JIE YAN 2011-11-09 CN disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed
EP-0289881-A2 2-Aminoalkyl-4-benzyl-1-(2H)-phthalazinone derivatives ASTA Medica Aktiengesellschaft (DE) 1988-11-09 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 IDO1 4505/4885AGXT 2804/4885DAO 4111/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 IDO1 4505/4885AGXT 2804/4885DAO 4111/4885

“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.