SCHEMBL6375440

SCHEMBL6375440

O=[N+]([O-])c1ccc(CCNC2=NCCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KCNJ1 P48048 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ NPY1R P25929 1/20 0.39

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
SCHEMBL6368497 0.79 GFER (0.39) HRH3TSHRCA1CA2CA12
SCHEMBL6369532 0.79 TMEM97 (0.43) NPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL24891637 0.73 PTGIR (0.53) KCNH2TSHRKCNJ1CA1CA2
SCHEMBL29227038 0.73 POLB (0.50) KCNH2TSHRKCNJ1CA1CA2
SCHEMBL9628053 0.70 KCNH2 (0.73) HRH3KCNH2TSHRKCNJ1CA1
SCHEMBL6375437 0.70 IDH1 (0.43) TSHRMEN1KMT2APOLBNPC1
SCHEMBL12693810 0.69 TSHR (0.60) HRH3KCNH2TSHRKCNJ1CA1
SCHEMBL28121312 0.69 PTPRF (0.71) TSHRMEN1KMT2APOLBNPC1
SCHEMBL1847096 0.69 TSHR (0.64) HRH3KCNH2TSHRKCNJ1KMT2A
SCHEMBL3292782 0.68 TSHR (0.75) HRH3KCNH2TSHRKCNJ1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119461-A1 Novel receptor, and compounds which bind thereto THE UNIVERSITY OF MELBOURNE 2005-06-02 — — US disclosed
EP-1044194-A4 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS UNIV MELBOURNE (AU) 2002-01-09 — — EP disclosed
EP-1044194-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 2000-10-18 — — EP disclosed
WO-1999024411-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 1999-05-20 — — 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-20050119461-A1 Novel receptor, and compounds which bind thereto GPR27, GPR174, GPR52 HRH3 639/4885KCNH2 1423/4885TSHR 238/4885

“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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