SCHEMBL5186121

SCHEMBL5186121

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(N=Nc3ccccc3[N+](=O)[O-])c2O)c(O)c(N=Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.41
PTPN1 P18031 2/20 0.41
PTPN6 P29350 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CES2 O00748 2/20 0.37
ACHE P22303 2/20 0.37
CES1 P23141 2/20 0.37
PLAU P00749 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14413587 1.00 PTPN11 (0.41) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL7702561 0.89 NPC1 (0.41) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL7702554 0.89 NPC1 (0.41) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL9177994 0.88 NPC1 (0.41) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL9177988 0.88 NPC1 (0.41) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL11876484 0.87 NPC1 (0.40) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL5185713 0.84 CES2 (0.39) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL5185716 0.84 CES2 (0.39) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL29809621 0.84 CES2 (0.39) PTPN11PTPN1PTPN6CYP1A2HPGD
SCHEMBL7698052 0.83 PTPN11 (0.40) PTPN11PTPN1PTPN6CYP1A2HPGD

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
EP-1339700-B1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES CIBA SC HOLDING AG (CH) 2007-11-21 EP disclosed
US-20070208165-A1 Process for the preparation of benzotriazoles FISCHER WALTER 2007-09-06 US disclosed
US-20040019220-A1 Process for the preparation of benzotriazoles CIBA SPECIALTY CHEMICALS CORP. 2004-01-29 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 (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-20070208165-A1 Process for the preparation of benzotriazoles CBR1, CCNT1, CYP1B1 PTPN11 490/4885PTPN1 191/4885PTPN6 798/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 PTPN11 745/4885PTPN1 281/4885PTPN6 859/4885

“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.