SCHEMBL27138142

SCHEMBL27138142

Fc1cc(Br)cc(F)c1C(Cl)=NN=C(Cl)c1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CTSL P07711 2/20 0.30

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
SCHEMBL27007958 1.00 DGAT1 (0.33) DGAT1CES2CES1KDM1AKDM1B
SCHEMBL27007651 0.81 DGAT1 (0.46) DGAT1CES2CES1KDM1AKDM1B
SCHEMBL27126738 0.81 DGAT1 (0.46) DGAT1CES2CES1KDM1AKDM1B
SCHEMBL17223080 0.81 CES2 (0.46) CES2CES1MAPTCA1CA2
SCHEMBL27128218 0.81 CES2 (0.46) CES2CES1MAPTCA1CA2
SCHEMBL17223079 0.81 CES2 (0.46) CES2CES1MAPTCA1CA2
SCHEMBL10111192 0.74 MAPT (0.43) CES2CES1NPC1RAB9AMAPT
SCHEMBL2744683 0.74 MAPT (0.43) CES2CES1NPC1RAB9AMAPT
SCHEMBL27026000 0.73 NPC1 (0.42) DGAT1NPC1RAB9AMAPTKMT2A
SCHEMBL30746003 0.71 KDM1A (0.38) CES2CES1KDM1AKDM1BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US disclosed
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 US 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 (1 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA DGAT1 1180/4885CES2 2305/4885CES1 1743/4885

“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.