SCHEMBL642632

SCHEMBL642632

O=C(Nc1ccccc1CP(=O)(O)O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.46
MMP2 P08253 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
OGG1 O15527 1/20 0.45
HDAC2 Q92769 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL641510 0.85 DHODH (0.57) HDAC1NR1H4MEN1KMT2AMAPT
SCHEMBL641767 0.83 DEGS1 (0.52) HDAC1NR1H4MEN1KMT2AMAPT
SCHEMBL641661 0.79 F10 (0.63) HDAC1MEN1KMT2AMMP2MAPT
SCHEMBL26671301 0.77 PLK1 (0.65)
SCHEMBL31661766 0.76 SLC16A3 (0.54) HDAC1NR1H4MEN1KMT2ATP53
SCHEMBL2229279 0.76 SLC16A3 (0.54) HDAC1NR1H4MEN1KMT2ATP53
SCHEMBL642223 0.75 SMN1; SMN2 (0.62) HDAC1NR1H4MEN1KMT2AMAPT
SCHEMBL26671910 0.75 PLK1 (0.67) NR1H4TP53MAPTLMNASMN1; SMN2
SCHEMBL641466 0.75 PLK1 (0.57) NR1H4MEN1KMT2ATP53MAPT
SCHEMBL651227 0.74 NPC1 (0.70) HDAC1TDP1MEN1KMT2ATP53

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-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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 (1 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 HDAC1 1541/4885NR1H4 984/4885TDP1 1139/4885

“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.