SCHEMBL10299149

SCHEMBL10299149

Cc1nc2cc(C(C)(C)C)c(F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 4/20 0.50
POLB P06746 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSP90AA1 P07900 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
CACNA1H O95180 1/20 0.35

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
SCHEMBL27074027 0.86 MAPT (0.58) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL24910470 0.85 MAPT (0.51) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL18596219 0.83 ALDH1A1 (0.44) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL13619367 0.81 FABP6 (0.51) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL7991998 0.81 KDM4E (0.55) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL10146527 0.79 MAPT (0.58) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL3266088 0.79 GAA (0.53) MAPTPOLBGAATDP1MEN1
SCHEMBL3265566 0.79 KDM4E (0.51) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL12819467 0.78 MAPT (0.51) MAPTKDM4EPOLBHPGDHSD17B10
SCHEMBL10268918 0.77 MAPT (0.50) MAPTKDM4EPOLBHPGDHSD17B10

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-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 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-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885KDM4E 2318/4885POLB 138/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885KDM4E 2318/4885POLB 138/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MAPT 2833/4885KDM4E 2318/4885POLB 138/4885

“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.