SCHEMBL6867220

SCHEMBL6867220

C=Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GABRA2 P47869 5/20 0.36
GABRB2 P47870 5/20 0.36
RORC P51449 2/20 0.36

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
SCHEMBL6869652 0.87 ALDH1A1 (0.53) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL6865680 0.85 CYP1A2 (0.36) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL2831553 0.80 MAPT (0.40) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL7238315 0.76 MAPT (0.43) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL3200271 0.76 MAPT (0.38) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL2829188 0.75 MAPT (0.42) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL3219619 0.75 MAPT (0.40) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL3219634 0.74 RECQL (0.39) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL2830708 0.74 HTT (0.52) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL2863488 0.73 RORC (0.52) MAPTHPGDALDH1A1NPSR1KDM4E

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 MAPT 4726/4885HPGD 424/4885ALDH1A1 130/4885
US-20010005725-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 MAPT 4726/4885HPGD 424/4885ALDH1A1 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.