SCHEMBL30745985

SCHEMBL30745985

Fc1cc(Br)ccc1-c1nnco1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17148984 0.86 NOTUM (0.59) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL29541755 0.82 NOTUM (0.62) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL7992184 0.79 NOTUM (0.59) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL31061827 0.79 NOTUM (0.59) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL4381737 0.79 NOTUM (0.47) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL27007671 0.78 NPC1 (0.44) NPC1RAB9ATSHRTP53SMN1; SMN2
SCHEMBL12909241 0.76 NOTUM (0.53) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL7050954 0.74 NOTUM (1.00) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL24819002 0.72 NOTUM (0.53) NOTUMNPC1RAB9ATSHRMAPK1
SCHEMBL25286035 0.72 NPC1 (0.40) NPC1RAB9A

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 1 patent. 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

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 NOTUM 3119/4885NPC1 62/4885RAB9A 2076/4885

“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.