SCHEMBL6865680

SCHEMBL6865680

C=Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2cc(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GABRA2 P47869 9/20 0.35
GABRB2 P47870 9/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL6867220 0.85 MAPT (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL6864489 0.81 GABRA2 (0.37) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL6870356 0.73 GABRA2 (0.34) GABRA2GABRB2
SCHEMBL6869652 0.72 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL6867874 0.70 CDC7 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL6974502 0.64 GABRA2 (0.45) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL2831553 0.64 MAPT (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL6870981 0.63 GABRA2 (0.61) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9996686 0.63 PDE2A (0.49) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL7815528 0.63 GABRA2 (0.47) 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 CYP1A2 4/4885CYP2C9 24/4885CYP2C19 6/4885
US-20010005725-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 CYP1A2 4/4885CYP2C9 24/4885CYP2C19 6/4885

“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.