SCHEMBL1457013

SCHEMBL1457013

Cc1cc([N+](=O)[O-])cc(-c2ccccc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ PTGS2 P35354 2/20 0.48
▸ HPRT1 P00492 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL3924698 0.82 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4PTGS2TSHR
SCHEMBL6775236 0.81 PTGS2 (0.54) ALDH1A1TDP1PTGS2HPRT1TSHR
SCHEMBL22678460 0.81 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4PTGS2HPRT1
SCHEMBL29972976 0.81 PTGS2 (0.44) ALDH1A1TDP1CYP3A4PTGS2HPRT1
SCHEMBL3600387 0.78 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRMEN1
SCHEMBL22658164 0.78 MAPT (0.47) ALDH1A1TDP1CYP3A4PTGS2HPRT1
SCHEMBL10452127 0.78 PTGS2 (0.43) ALDH1A1TDP1CYP3A4PTGS2HPRT1
SCHEMBL29408216 0.78 MAPT (0.47) ALDH1A1TDP1CYP3A4PTGS2HPRT1
SCHEMBL7112609 0.78 PTGS2 (0.59) ALDH1A1TDP1CYP3A4PTGS2HPRT1
SCHEMBL629839 0.78 PTGS2 (0.59) ALDH1A1TDP1CYP3A4PTGS2HPRT1

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
EP-2295413-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
EP-2295412-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
US-7041687-B2 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-09 — — US disclosed
EP-1467972-A1 INDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2004-10-20 — — EP disclosed
US-20040009968-A1 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-01-15 — — US disclosed
WO-2003064397-A1 INDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-07 — — 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-20040009968-A1 Indazole compounds useful as protein kinase inhibitors PRKD3, PDPK1, PDK1 ALDH1A1 2430/4885TDP1 633/4885CYP3A4 2263/4885

“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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