SCHEMBL4870470

SCHEMBL4870470

CC(=O)c1cccc(OCc2ccc(Br)cc2)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 9/20 0.64
▸ MAOB P27338 6/20 0.56
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAOA P21397 4/20 0.48
▸ CYP19A1 P11511 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
SCHEMBL8088242 0.81 MAOB (0.63) MAOBMAPTSMN1; SMN2MAOA
SCHEMBL10908860 0.80 POLB (0.47) HPDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2986814 0.79 HPD (0.57) HPD
SCHEMBL31529361 0.78 KMT2A (0.51) HPDMAPTRAB9ASMN1; SMN2
SCHEMBL6552022 0.78 MAPT (0.54) HPDMAOBMAPTSMN1; SMN2CYP19A1
SCHEMBL4944452 0.76 KMT2A (0.62) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4869351 0.76 TDP1 (0.50) MAPTRAB9ASMN1; SMN2
SCHEMBL30662860 0.76 KMT2A (0.54) HPDSMN1; SMN2CYP19A1
SCHEMBL26604443 0.76 KMT2A (0.54) HPDSMN1; SMN2CYP19A1
SCHEMBL9671326 0.75 HPD (0.54) HPDNPC1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 — — US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 — — US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 — — US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 — — US disclosed
US-20050261338-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 — — US disclosed
US-6916961-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2005-07-12 — — US disclosed
EP-1235787-B1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2003-10-29 — — EP disclosed
US-6576793-B1 β2-adrenergic receptor agonists THERAVANCE, INC. 2003-06-10 — — US disclosed
US-20030087307-A1 Beta2-adrenergic receptor agonists ADVANCED MEDICINE, INC. 2003-05-08 — — 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 (4 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-20050261338-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B HPD 4373/4885MAOB 442/4885MAPT 1964/4885
US-20030087307-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B HPD 4302/4885MAOB 426/4885MAPT 1994/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B HPD 4373/4885MAOB 442/4885MAPT 1964/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B HPD 4373/4885MAOB 442/4885MAPT 1964/4885

“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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