SCHEMBL6864489

SCHEMBL6864489

Fc1ccc2c(Br)cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.37
GABRB2 P47870 11/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GABRB3 P28472 5/20 0.35
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 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
SCHEMBL2831553 0.83 MAPT (0.40) GABRA2GABRB2SMN1; SMN2NPC1LMNA
SCHEMBL6865680 0.81 CYP1A2 (0.36) GABRA2GABRB2SMN1; SMN2NPC1LMNA
SCHEMBL6870356 0.78 GABRA2 (0.34) GABRA2GABRB2
SCHEMBL6867874 0.73 CDC7 (0.42) GABRA2GABRB2SMN1; SMN2NPC1LMNA
SCHEMBL982286 0.71 GABRA2 (0.39) GABRA2GABRB2SMN1; SMN2NPC1RAB9A
SCHEMBL10678734 0.69 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL28557905 0.66 KIF11 (0.37) SMN1; SMN2CYP1A2NFKB1NFKB2RELA
SCHEMBL10678467 0.66 GABRB3 (0.36) GABRA2GABRB2SMN1; SMN2NPC1RAB9A
SCHEMBL10680332 0.65 GABRA2 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10671957 0.65 GABRB3 (0.36) GABRA2GABRB2GABRB3GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1986/4885SMN1; SMN2 1165/4885
US-20010005725-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 GABRA2 2526/4885GABRB2 1986/4885SMN1; SMN2 1165/4885

“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.