SCHEMBL27007635

SCHEMBL27007635

Cc1cc(Br)ccc1C(=O)NNC(=O)c1ccc(Br)cc1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
GPR27 Q9NS67 1/20 0.49
DHODH Q02127 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SORT1 Q99523 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL27007664 0.93 NPC1 (0.73) NPC1RAB9AFLT1FLT4KDR
SCHEMBL4470182 0.90 RAB9A (0.53) NPC1RAB9AFLT1FLT4KDR
SCHEMBL1697081 0.86 FLT1 (0.54) NPC1RAB9AFLT1FLT4KDR
SCHEMBL789345 0.85 ALDH1A1 (0.55) NPC1RAB9AFLT1FLT4KDR
SCHEMBL789101 0.84 NPC1 (0.51) NPC1RAB9AFLT1FLT4KDR
SCHEMBL24670118 0.82 MAPT (0.65) NPC1RAB9AFLT1FLT4KDR
SCHEMBL3340974 0.82 FLT1 (0.50) NPC1RAB9AFLT1FLT4KDR
SCHEMBL26905965 0.82 HTT (0.54) NPC1RAB9AFLT1FLT4KDR
SCHEMBL29803701 0.82 MAPT (0.65) NPC1RAB9AFLT1FLT4KDR
SCHEMBL3658275 0.82 FLT1 (0.50) NPC1RAB9AFLT1FLT4KDR

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 2 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

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 NPC1 62/4885RAB9A 2076/4885FLT1 4453/4885

“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.