SCHEMBL6860111

SCHEMBL6860111

FC(F)(F)c1cc(Cl)c(-n2cc(C3CC3(Br)Br)c3ccccc32)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.36
GABRB2 P47870 4/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL6870356 0.86 GABRA2 (0.34) GABRA2GABRB2
SCHEMBL2831553 0.77 MAPT (0.40) GABRA2GABRB2MAPTHPGDNPSR1
SCHEMBL6959168 0.72 GABRA2 (0.45) GABRA2GABRB2MAPT
SCHEMBL6867220 0.72 MAPT (0.47) GABRA2GABRB2MAPTHPGDNPSR1
SCHEMBL6869652 0.72 ALDH1A1 (0.53) MAPTHPGDNPSR1ALDH1A1KDM4E
SCHEMBL3200271 0.72 MAPT (0.38) GABRA2GABRB2MAPTHPGDNPSR1
SCHEMBL7238315 0.72 MAPT (0.43) GABRA2GABRB2MAPTHPGDNPSR1
SCHEMBL2829188 0.71 MAPT (0.42) GABRA2GABRB2MAPTHPGDNPSR1
SCHEMBL7101511 0.71 GABRA2 (0.43) GABRA2GABRB2
SCHEMBL3219619 0.71 MAPT (0.40) GABRA2GABRB2MAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130307-A1 Heterocycles BANKS BERNARD JOSEPH (GB) 2003-07-10 US claimed
US-20010005725-A1 Heterocycles BANKS BERNARD JOSEPH (GB) 2001-06-28 US claimed
EP-0957094-A1 1-(2-Halogenaryl)azoles as antiparasitic agents PFIZER INC. (US) 1999-11-17 EP claimed
US-6812241-B2 FOR PLANTS, HUMANS, VETERINARY MEDICINE PFIZER INC. 2004-11-02 US disclosed
US-20030130307-A1 Heterocycles BANKS BERNARD JOSEPH (GB) 2003-07-10 US disclosed
US-6525079-B2 Antiparasitic compounds such as 4-(2,2-dibromocyclopropyl)-1-(2,6-dichloro-4-trifluoromethylphenyl)-1,2,3 -triazole PFIZER INC. 2003-02-25 US disclosed
US-20010005725-A1 Heterocycles BANKS BERNARD JOSEPH (GB) 2001-06-28 US disclosed
US-6110958-A PARASITICIDES PFIZER INC. (US) 2000-08-29 US disclosed
US-6083965-A ANTIPARASITIC AGENTS PFIZER INC (US) 2000-07-04 US disclosed
EP-0957094-A1 1-(2-Halogenaryl)azoles as antiparasitic agents PFIZER INC. (US) 1999-11-17 EP 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-20030130307-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 GABRA2 2526/4885GABRB2 1986/4885MAPT 4726/4885
US-20010005725-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 GABRA2 2526/4885GABRB2 1986/4885MAPT 4726/4885

“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.