SCHEMBL13528293

SCHEMBL13528293

CNc1ccc(F)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
NR1H4 Q96RI1 2/20 0.39
SLC22A12 Q96S37 2/20 0.38
KIF11 P52732 1/20 0.35
KCNH2 Q12809 1/20 0.34
IDO1 P14902 1/20 0.33
PDK2 Q15119 1/20 0.33
HTT P42858 1/20 0.33
GRM4 Q14833 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
APP P05067 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
TDO2 P48775 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20040910 0.86 IDO1 (0.44) ARSLC22A12KIF11KCNH2IDO1
SCHEMBL22549095 0.84 AR (0.41) ARNR1H4SLC22A12KIF11KCNH2
SCHEMBL13528298 0.83 CFTR (0.40) ARNR1H4SLC22A12KIF11KCNH2
SCHEMBL1421027 0.83 AR (0.50) ARSLC22A12KIF11KCNH2IDO1
SCHEMBL19266264 0.81 AR (0.36) ARNR1H4SLC22A12KIF11KCNH2
SCHEMBL17030740 0.77 NR1H4 (0.40) ARNR1H4KIF11PDK2ALDH1A1
SCHEMBL13547902 0.76 ALDH1A1 (0.59) ARNR1H4HTTALDH1A1GAA
SCHEMBL16658365 0.76 KIF11 (0.51) SLC22A12KIF11HTTALDH1A1SMN1; SMN2
SCHEMBL8060147 0.75 NR1H4 (0.60) NR1H4HTTALDH1A1GAATDP1
SCHEMBL31099069 0.75 RAPGEF4 (0.50) KIF11KCNH2IDO1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2018-07-10 US disclosed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 US disclosed
US-8796277-B2 Radioprotector compounds and related methods PETER MACCALLUM CANCER INSTITUTE (AU) 2014-08-05 US disclosed
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2010-01-28 US disclosed
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2010-01-28 US 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-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS RAD50, ERCC2, XRCC6 AR 1234/4885NR1H4 2317/4885SLC22A12 2969/4885
US-10017492-B2 Isoindoline derivative, intermediate, preparation method, pharmaceutical composition and use thereof IL2, IL1B, IL5 AR 770/4885NR1H4 1209/4885SLC22A12 4340/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 AR 770/4885NR1H4 1209/4885SLC22A12 4340/4885

“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.