SCHEMBL6865360

SCHEMBL6865360

N#Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C1CC1(Br)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
NR1I2 O75469 1/20 0.33
LMNA P02545 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
SCHEMBL6055638 0.78 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6864382 0.75 GABRB3 (0.41) GABRB3KDM4EALDH1A1GABRA2GABRB2
SCHEMBL7101511 0.72 GABRA2 (0.43) GABRB3GABRA2GABRB2
SCHEMBL6867429 0.72 GABRA2 (0.39) GABRB3KDM4EALDH1A1GABRA2GABRB2
SCHEMBL6976748 0.72 GABRA2 (0.43) GABRB3GABRA2GABRB2
SCHEMBL7095243 0.72 GABRA2 (0.43) GABRB3GABRA2GABRB2
SCHEMBL8822855 0.71 GABRA2 (0.39) GABRB3KDM4EALDH1A1GABRA2GABRB2
SCHEMBL7097797 0.71 GABRA2 (0.42) GABRB3GABRA2GABRB2
SCHEMBL7094294 0.71 GABRA2 (0.42) GABRB3GABRA2GABRB2
SCHEMBL6969574 0.71 GABRA2 (0.43) GABRA2GABRB2

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 11 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
US-6110958-A PARASITICIDES PFIZER INC. (US) 2000-08-29 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 GABRB3 2239/4885KDM4E 1844/4885ALDH1A1 130/4885
US-20010005725-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 GABRB3 2239/4885KDM4E 1844/4885ALDH1A1 130/4885

“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.