SCHEMBL6869652

SCHEMBL6869652

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 5/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
IMPDH2 P12268 1/20 0.43
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
RORC P51449 1/20 0.39
UBE2N P61088 1/20 0.39

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 0.87 MAPT (0.47) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL14519048 0.82 HPGD (0.74) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL2831553 0.80 MAPT (0.40) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL25232427 0.79 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL4949951 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EHTTIMPDH2
SCHEMBL2830708 0.77 HTT (0.52) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL3200271 0.76 MAPT (0.38) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL7238315 0.76 MAPT (0.43) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL2863488 0.76 RORC (0.52) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL2829188 0.75 MAPT (0.42) ALDH1A1KDM4EHPGDCYP1A2CYP2C9

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 ALDH1A1 130/4885KDM4E 1844/4885HPGD 424/4885
US-20010005725-A1 Heterocycles CYP1A1, CYP2E1, CYP1B1 ALDH1A1 130/4885KDM4E 1844/4885HPGD 424/4885

“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.