SCHEMBL17788872

SCHEMBL17788872

Cc1cc(C)cc(-c2ncn(/C=C(/C(=O)O)c3ccncc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 8/20 0.41
RANBP1 P43487 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 3/20 0.35
ENPP3 O14638 1/20 0.35
ALPL P05186 1/20 0.35
XIAP P98170 1/20 0.35
GAA P10253 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
MAP3K14 Q99558 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.31
HTR1A P08908 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
SCHEMBL17788723 0.89 XPO1 (0.54) XPO1RANBP1KCNH2ESR1HTR1A
SCHEMBL17788722 0.89 XPO1 (0.54) XPO1RANBP1KCNH2ESR1HTR1A
SCHEMBL17788724 0.89 XPO1 (0.54) XPO1RANBP1KCNH2ESR1HTR1A
SCHEMBL17788864 0.89 XPO1 (0.53) XPO1RANBP1KCNH2KDM4EENPP3
SCHEMBL17788863 0.86 XPO1 (0.43) XPO1RANBP1KCNH2GAAALDH1A1
SCHEMBL17788888 0.86 XPO1 (0.39) XPO1RANBP1KCNH2RXRARXRB
SCHEMBL17788877 0.85 XPO1 (0.56) XPO1RANBP1KCNH2RXRARXRB
SCHEMBL26326437 0.85 XPO1 (0.56) XPO1RANBP1KCNH2RXRARXRB
SCHEMBL17788719 0.84 XPO1 (0.40) XPO1RANBP1KCNH2
SCHEMBL17788720 0.84 XPO1 (0.40) XPO1RANBP1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155317-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2018-06-07 US disclosed
US-9738624-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-08-22 US disclosed
US-20160152596-A1 Nuclear Transport Modulators and Uses Thereof Karyopharm Therapeutics Inc. (US) 2016-06-02 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 (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-20180155317-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, XPO5, XPOT XPO1 1/4885RANBP1 159/4885KCNH2 4379/4885
US-20160152596-A1 Nuclear Transport Modulators and Uses Thereof XPO5, XPO1, XPOT XPO1 2/4885RANBP1 144/4885KCNH2 4320/4885

“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.