SCHEMBL2295180

SCHEMBL2295180

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
RORC P51449 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NR1I2 O75469 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
SCHEMBL2299136 0.93 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2294711 0.86 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2295684 0.86 MEN1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2299138 0.85 NOTUM (0.46) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL2299482 0.84 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2294482 0.84 NAMPT (0.48) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2295247 0.83 LMNA (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2298594 0.81 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2297466 0.80 KMT2A (0.47) MEN1KMT2AMAPT
SCHEMBL2291367 0.80 ALOX5 (0.49) SMN1; SMN2MEN1KMT2AMAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed

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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 SMN1; SMN2 2159/4885MEN1 2656/4885KMT2A 3680/4885

“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.