SCHEMBL4676934

SCHEMBL4676934

COC(=O)c1c(O)c(C#N)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
NCEH1 Q6PIU2 1/20 0.44
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM5A P29375 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL6510652 0.86 NCEH1 (0.44) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL10699646 0.86 NCEH1 (0.44) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6229441 0.84 ALDH1A1 (0.52) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6603195 0.82 POLB (0.42) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6610048 0.82 NCEH1 (0.41) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6603719 0.81 NCEH1 (0.40) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6508770 0.81 POLB (0.41) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL1520762 0.80 MEN1 (0.54) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6607592 0.80 NCEH1 (0.40) MEN1KMT2AMAPTNCEH1ALDH1A1
SCHEMBL6603583 0.80 ALDH1A1 (0.42) MAPTNCEH1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276729-B1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-7235541-B2 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-06-26 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-20070021406-A1 New neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2007-01-25 US disclosed
US-6846814-B2 Neurokinin antagonists for use as medicaments ASTRA ZENECA AB (SE) 2005-01-25 US disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
US-20030158170-A1 Neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1276729-A1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS AstraZeneca AB (SE) 2003-01-22 EP disclosed
WO-2001077089-A1 NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 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-20070021406-A1 New neurokinin antagonists for use as medicaments NPSR1, HRH4, OPRL1 MEN1 321/4885KMT2A 711/4885MAPT 908/4885
US-20030158170-A1 Neurokinin antagonists for use as medicaments BDKRB2, TACR2, TACR1 MEN1 328/4885KMT2A 3209/4885MAPT 1909/4885

“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.