SCHEMBL16017445

SCHEMBL16017445

Cc1cc(C)n(-c2ccc(N)cc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
TERT O14746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENPP3 O14638 1/20 0.40
ALPL P05186 1/20 0.40
XIAP P98170 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL10362486 0.83 KDM4E (0.50) KDM4EGAATSHRMAPTHTT
SCHEMBL29864237 0.81 ALDH1A1 (0.42) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL14881344 0.81 ALDH1A1 (0.42) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL27920214 0.80 KDM4E (0.66) KDM4EGAATSHRMAPTSMN1; SMN2
SCHEMBL27938658 0.78 NR4A1 (0.59) KDM4EGAATSHRMAPTSMN1; SMN2
SCHEMBL17033294 0.77 KDM4E (0.58) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL29171081 0.76 KDM4E (0.54) KDM4EGAATSHRMAPTHTT
SCHEMBL960631 0.75 ALDH1A1 (0.39) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL16017444 0.74 MAPT (0.62) GAAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL10431359 0.74 TSHR (0.53) KDM4EGAATSHRMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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 (1 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885GAA 994/4885TSHR 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.