SCHEMBL4004276

SCHEMBL4004276

N#Cc1n[nH]c2ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.50
▸ CCR2 P41597 1/20 0.37
▸ ALPL P05186 5/20 0.36
▸ ALPI P09923 5/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ NTRK1 P04629 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32

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
SCHEMBL4015160 0.95 APEX1 (0.47) APEX1CCR2ALPLALPICYP11B1
SCHEMBL4015098 0.84 APEX1 (0.56) APEX1ALPLALPICYP11B1CYP11B2
SCHEMBL4008027 0.82 APEX1 (0.53) APEX1ALPLALPITTKIDO1
SCHEMBL4008175 0.82 APEX1 (0.53) APEX1CCR2ALPLALPITTK
SCHEMBL4007257 0.82 APEX1 (0.53) APEX1ALPLALPICYP11B1CYP11B2
SCHEMBL4006373 0.81 NTRK1 (0.41) ALPLALPINTRK1TTKLRRK2
SCHEMBL4007111 0.80 APEX1 (0.52) APEX1ALPLALPITTKIDO1
SCHEMBL4006003 0.80 APEX1 (0.53) APEX1ALPLTTKIDO1LRRK2
SCHEMBL4008113 0.79 APEX1 (0.49) APEX1NTRK1TTKJAK2
SCHEMBL4009669 0.79 NTRK1 (0.41) ALPLALPINTRK1SLC22A12TTK

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-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 — — EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 — — 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 (2 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2215/4885CCR2 3475/4885ALPL 2118/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 APEX1 2168/4885CCR2 3578/4885ALPL 2355/4885

“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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