SCHEMBL3514489

SCHEMBL3514489

O=C(Nc1n[nH]c2c(F)cc([N+](=O)[O-])cc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CDK2 P24941 1/20 0.47
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
NTRK1 P04629 5/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
GAA P10253 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CDK7 P50613 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL3517029 0.81 FGFR1 (0.48) CDK2NPC1RAB9AFGFR1FGFR2
SCHEMBL4008807 0.80 CDK2 (0.70) MEN1KMT2ACDK2NPC1MITF
SCHEMBL6478206 0.78 GSK3B (0.53) MEN1KMT2ACDK2
SCHEMBL3515842 0.78 HDAC6 (0.49) MEN1KMT2ACDK2NPC1RAB9A
SCHEMBL627865 0.72 ABCG2 (0.57) MEN1KMT2ACDK2NPC1MITF
SCHEMBL15081367 0.72 TDP1 (0.39) MEN1KMT2ACDK2NPC1POLB
SCHEMBL14404446 0.71 CDK7 (0.58) CDK2FGFR1FGFR2FGFR3HDAC6
SCHEMBL29074265 0.71 KMT2A (0.64) MEN1KMT2ANPC1MITFPOLB
SCHEMBL15081372 0.70 CCNE2 (0.38) MEN1KMT2ACDK2POLB
SCHEMBL30881831 0.69 TP53 (0.50) MEN1KMT2ACDK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 MEN1 357/4885KMT2A 2460/4885CDK2 181/4885

“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.