SCHEMBL589368

SCHEMBL589368

CN(C)Cc1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
HCAR3 P49019 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DTYMK P23919 1/20 0.42
CES2 O00748 1/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27664864 0.87 HPGD (0.43) RXRAHCAR3ALDH1A1POLBSMN1; SMN2
SCHEMBL5913121 0.87 POLB (0.42) RXRAALDH1A1POLBSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL4819174 0.85 POLB (0.44) RXRAHCAR3ALDH1A1POLBSMN1; SMN2
SCHEMBL590012 0.84 SMN1; SMN2 (0.45) ALDH1A1POLBSMN1; SMN2HPGDCYP3A4
SCHEMBL8830192 0.83 RXRA (0.53) RXRAHCAR3ALDH1A1TSHRSMN1; SMN2
SCHEMBL2276162 0.83 RXRA (0.50) RXRAALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL5673851 0.81 RXRA (0.51) RXRAALDH1A1TSHRPOLBDTYMK
Hydrochloric Acid SCHEMBL3514131 0.81 SMN1; SMN2 (0.46) RXRAHCAR3ALDH1A1TSHRPOLB
SCHEMBL3903720 0.80 RXRA (0.50) RXRAALDH1A1TSHRDTYMKCES2
SCHEMBL4522567 0.80 POLB (0.64) ALDH1A1TSHRPOLBKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 CN disclosed
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
CN-101594862-A Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-12-02 CN disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 RXRA 3040/4885HCAR3 3668/4885ALDH1A1 1771/4885

“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.