SCHEMBL641452

SCHEMBL641452

O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(CO)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HSPB1 P04792 2/20 0.48
MAPT P10636 2/20 0.48
PDE7A Q13946 1/20 0.47
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.43
APAF1 O14727 1/20 0.42
GRK2 P25098 1/20 0.42
S100A4 P26447 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TTR P02766 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL23292617 0.86 MAPT (0.53) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL13327511 0.79 VCAM1 (0.46) MEN1KMT2AALDH1A1HSPB1MAPT
SCHEMBL22966277 0.78 TBXA2R (0.53) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL22069702 0.78 HSPB1 (0.68) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL29351876 0.78 HSPB1 (0.68) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL22069562 0.78 PDE7A (0.74) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL641451 0.78 TBXA2R (0.50) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL11095993 0.78 VCAM1 (0.50) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL28443844 0.77 TBXA2R (0.52) TBXA2RMEN1KMT2AALDH1A1HSPB1
SCHEMBL7065552 0.76 SLC6A4 (0.54) TBXA2RMEN1KMT2AALDH1A1HSPB1

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-2591775-A1 Combinations comprising mtor inhibitors for treating cancer Novartis AG (CH) 2013-05-15 EP disclosed
US-20120129881-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER BURKE GREGORY (US) 2012-05-24 US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20090098137-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2009-04-16 US disclosed
US-20090023768-A1 RAPAMYCIN DERIVATIVES FOR TREATING NEUROBLASTOMA NOVARTIS AG (CH) 2009-01-22 US disclosed
EP-2004163-A2 COMBINATIONS COMPRISING MTOR INHIBITORS FOR TREATING CANCER Novartis Pharma AG (CH) 2008-12-24 EP disclosed
WO-2007124252-A2 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER NOVARTIS AG (CH) 2007-11-01 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 (3 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-20090023768-A1 RAPAMYCIN DERIVATIVES FOR TREATING NEUROBLASTOMA MTOR, MAPKAP1, RPS6KB2 TBXA2R 4429/4885MEN1 862/4885KMT2A 1459/4885
US-20090098137-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER MTOR, CDK4, MAPKAP1 TBXA2R 4023/4885MEN1 820/4885KMT2A 2000/4885
US-20120129881-A1 COMBINATIONS OF THERAPEUTIC AGENTS FOR TREATING CANCER MTOR, CDK4, MAPKAP1 TBXA2R 4023/4885MEN1 820/4885KMT2A 2000/4885

“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.