SCHEMBL3560709

SCHEMBL3560709

CCc1cc([N+](=O)[O-])cc(C)[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.44
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ACHE P22303 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL26688824 0.89 HTT (0.52) HTTPOLBTSHRMAPTNPC1
SCHEMBL589656 0.82 TSHR (0.56) HTTPOLBTSHRMAPTNPC1
SCHEMBL11842588 0.81 HTT (0.44) HTTPOLBTSHRMAPTCYP19A1
SCHEMBL11609774 0.81 HTT (0.53) HTTPOLBTSHRMAPTNPC1
SCHEMBL5865009 0.81 HTT (0.44) HTTPOLBTSHRMAPTNPC1
SCHEMBL11610465 0.75 MAPT (0.45) HTTPOLBTSHRMAPTNPC1
SCHEMBL11613224 0.75 TSHR (0.40) HTTPOLBTSHRMAPTNPC1
SCHEMBL11614422 0.74 TSHR (0.47) HTTPOLBTSHRMAPTNPC1
SCHEMBL942208 0.74 TSHR (0.47) HTTPOLBTSHRMAPTNPC1
SCHEMBL899185 0.74 TSHR (0.47) HTTPOLBTSHRMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750161-B2 Pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-07-06 US disclosed
EP-1670470-B1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-08 EP disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO disclosed
US-5308843-A Method of inhibiting mammalian topoisomerase II and malignant cell growth in mammals, with substituted (S)-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4 ]-benzoxazine(and-benzothiazine)-6-carboxylic acids STERLING DRUG INC. (US) 1994-05-03 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-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 HTT 1624/4885POLB 4709/4885TSHR 1285/4885

“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.