SCHEMBL4444275

SCHEMBL4444275

NC(=O)Cc1cccc(C(=O)NCc2ccc(OCCCBr)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HTT P42858 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ HTR2C P28335 1/20 0.51
▸ MAOB P27338 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4444279 0.87 HTR2C (0.54) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL4443781 0.80 HDAC2 (0.54) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7972021 0.78 F10 (0.56) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7392566 0.78 F10 (0.56) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7989809 0.77 PRSS1 (0.57) —
SCHEMBL7425136 0.77 PRSS1 (0.57) —
SCHEMBL7986197 0.77 PRSS1 (0.57) —
SCHEMBL7983619 0.76 F10 (0.57) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7972008 0.75 F10 (0.62) SMN1; SMN2DRD2DRD3HRH3LMNA
Hydrochloric Acid SCHEMBL5092926 0.74 LOX (0.55) NPC1RAB9ASMN1; SMN2HTTALDH1A1

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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — US disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — WO 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 NPC1 211/4885RAB9A 2589/4885SMN1; SMN2 1983/4885

“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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