SCHEMBL5186255

SCHEMBL5186255

CCCCc1cc(C(C)(C)C)cc(N=Nc2ccccc2[N+](=O)[O-])c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 2/20 0.39
ACHE P22303 2/20 0.39
CES1 P23141 2/20 0.39
PTPN11 Q06124 4/20 0.38
PLAU P00749 1/20 0.36
CYP1A2 P05177 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
GAA P10253 1/20 0.35
GPR35 Q9HC97 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL9007314 0.83 NPC1 (0.40) NPC1RAB9ACES2ACHECES1
SCHEMBL9007330 0.83 NPC1 (0.40) NPC1RAB9ACES2ACHECES1
SCHEMBL7699959 0.81 NPC1 (0.45) NPC1RAB9ACES2ACHECES1
SCHEMBL11733352 0.81 NPC1 (0.45) NPC1RAB9ACES2ACHECES1
SCHEMBL7699961 0.81 NPC1 (0.45) NPC1RAB9ACES2ACHECES1
SCHEMBL11733347 0.81 NPC1 (0.45) NPC1RAB9ACES2ACHECES1
SCHEMBL5186799 0.81 ALPG (0.41) NPC1RAB9APTPN11CYP1A2ALDH1A1
SCHEMBL5184443 0.81 CYP2C9 (0.37) NPC1RAB9ACYP1A2TDP1
SCHEMBL9007271 0.80 NPC1 (0.44) NPC1RAB9ACES2ACHECES1
SCHEMBL9007267 0.80 NPC1 (0.44) NPC1RAB9ACES2ACHECES1

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 5 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

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 NPC1 1954/4885RAB9A 537/4885CES2 1169/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 NPC1 1794/4885RAB9A 842/4885CES2 792/4885

“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.