SCHEMBL16996751

SCHEMBL16996751

Cc1cc(F)c(-c2c(Cl)nnc(C)c2-c2ccc(Cl)s2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3614591 0.92 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17514619 0.82 HSD17B1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19021453 0.80 CNR1 (0.33) ALDH1A1MAPT
SCHEMBL10026448 0.77 KDR (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14962991 0.75 MAOB (0.40) ALDH1A1MAPT
SCHEMBL13697333 0.75 MEN1 (0.35) ALDH1A1RAB9AMAPTTSHRHSD17B10
SCHEMBL4584403 0.73 HSD11B1 (0.38) ALDH1A1RAB9APOLBMAPTHSD17B10
SCHEMBL4610692 0.73 ALDH1A1 (0.37) ALDH1A1RAB9APOLBMAPTTSHR
SCHEMBL3618362 0.71 KDM4E (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1873945 0.70 KMT2A (0.34) GABRPGABRDGABRA1GABRB1GABRG2

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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 GABRP 2016/4885GABRD 3279/4885GABRA1 2774/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 GABRP 890/4885GABRD 1434/4885GABRA1 2064/4885

“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.