SCHEMBL5186248

SCHEMBL5186248

CCC(C)c1cc(C(C)(C)C)cc(N=Nc2ccccc2[N+](=O)[O-])c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 2/20 0.39
ACHE P22303 2/20 0.39
CES1 P23141 2/20 0.39
RORC P51449 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
PLAU P00749 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9260980 1.00 PTPN11 (0.40) PTPN11NPC1RAB9ATSHRCYP1A2
SCHEMBL9182173 0.89 RORC (0.40) PTPN11NPC1RAB9ATSHRCYP1A2
SCHEMBL9182170 0.89 RORC (0.40) PTPN11NPC1RAB9ATSHRCYP1A2
SCHEMBL9269877 0.86 PSEN1 (0.36) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9269874 0.86 PSEN1 (0.36) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11876698 0.85 MEN1 (0.40) CYP2C9CYP2C19RORCTDP1MAPT
SCHEMBL9180516 0.83 RORC (0.33) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9180508 0.83 RORC (0.33) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9181799 0.83 PTPN11 (0.43) PTPN11NPC1RAB9ATSHRCYP1A2
SCHEMBL9181796 0.83 PTPN11 (0.43) PTPN11NPC1RAB9ATSHRCYP1A2

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
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
EP-1339700-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES Ciba SC Holding AG (CH) 2003-09-03 EP disclosed
WO-2002024668-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-28 WO disclosed
US-5436322-A Azo coupling of 2-nitroanilines with 2,4,-disbustituted phenols CIBA-GEIGY CORPORATION (US) 1995-07-25 US disclosed
US-4141903-A REDUCTION AND CYCLIZATION OF THE CORRESPONDING O-NITROAZOBENZENES WITH CARBON MONOXIDE USING A COPPER-AMINE COMPLEX AS CATALYST CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-3998804-A PROCESS FOR COUPLING OF WATER-INSOLUBLE 2,4-DISUBSTITUTED PHENOLS WITH DIAZOTIZED O-NITROANILINES CIBA-GEIGY CORPORATION (US) 1976-12-21 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 490/4885NPC1 1954/4885RAB9A 537/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 PTPN11 745/4885NPC1 1794/4885RAB9A 842/4885

“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.