SCHEMBL5186232

SCHEMBL5186232

O=[N+]([O-])c1ccc(Cl)c(/N=N/c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
MAPT P10636 6/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPK1 P28482 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSP90AA1 P07900 1/20 0.49
RECQL P46063 1/20 0.49
PDE7A Q13946 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5186237 1.00 HSD17B10 (0.51) HSD17B10MEN1KMT2AMAPTRAB9A
SCHEMBL30984401 0.88 HSD17B10 (0.51) HSD17B10MEN1KMT2AMAPTRAB9A
SCHEMBL28543331 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL28543332 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11303620 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5306997 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL11303617 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL29238060 0.81 KMT2A (0.55) HSD17B10MEN1KMT2AMAPTRAB9A
SCHEMBL29238056 0.81 KMT2A (0.55) HSD17B10MEN1KMT2AMAPTRAB9A
SCHEMBL9180679 0.78 TDP1 (0.57) MEN1KMT2AMAPTRAB9ANPC1

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 7 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-20070208165-A1 Process for the preparation of benzotriazoles FISCHER WALTER 2007-09-06 US 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 HSD17B10 4195/4885MEN1 565/4885KMT2A 249/4885
US-20040019220-A1 Process for the preparation of benzotriazoles SULT1E1, SULT1A1, CYP1B1 HSD17B10 3739/4885MEN1 757/4885KMT2A 325/4885

“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.