SCHEMBL4879141

SCHEMBL4879141

O=C(NN=C(C=NO)c1ccccn1)c1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.68
▸ RAB9A P51151 6/20 0.68
▸ AGTR1 P30556 4/20 0.68
▸ OPRK1 P41145 4/20 0.68
▸ MAPT P10636 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ EYA2 O00167 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ OGG1 O15527 1/20 0.47

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
SCHEMBL4879133 1.00 NPC1 (0.68) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL4878014 0.84 NPC1 (0.59) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL4878016 0.84 NPC1 (0.59) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL1026284 0.83 RAB9A (0.77) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL27178156 0.81 NPC1 (1.00) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL27178161 0.81 NPC1 (1.00) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL30826084 0.81 NPC1 (1.00) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL4888895 0.81 CYP1A2 (0.64) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL4888888 0.81 CYP1A2 (0.64) NPC1RAB9AAGTR1OPRK1MAPT
SCHEMBL5716401 0.80 RAB9A (0.47) NPC1RAB9AAGTR1OPRK1MAPT

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-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 — — 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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 NPC1 2644/4885RAB9A 3811/4885AGTR1 1045/4885

“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.

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