SCHEMBL3603571

SCHEMBL3603571

O=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.60
TRPV1 Q8NER1 6/20 0.52
KCNH2 Q12809 3/20 0.47
NTRK1 P04629 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL4897402 0.89 HDAC1 (0.59) HDAC1TRPV1KCNH2NTRK1MEN1
SCHEMBL3612433 0.88 HDAC1 (0.58) HDAC1KCNH2MEN1KMT2ANPC1
SCHEMBL8264607 0.86 HDAC1 (0.53) HDAC1TRPV1KCNH2
SCHEMBL13462579 0.85 HDAC1 (0.52) HDAC1TRPV1KCNH2NTRK1
SCHEMBL5797598 0.85 HDAC1 (0.60) HDAC1TRPV1KCNH2NTRK1MEN1
SCHEMBL3603039 0.84 HDAC1 (0.84) HDAC1KCNH2
SCHEMBL3618560 0.82 HDAC1 (0.85) HDAC1KCNH2
SCHEMBL3611034 0.81 HDAC1 (0.85) HDAC1KCNH2
SCHEMBL3612988 0.78 HDAC1 (0.74) HDAC1KCNH2
SCHEMBL14182609 0.76 HDAC1 (0.53) HDAC1TRPV1KCNH2

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-2215075-B1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-11 EP disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-03-25 US disclosed
WO-2006075160-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-07-20 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-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER HDAC1, HDAC2, HDAC3 HDAC1 1/4885TRPV1 2925/4885KCNH2 2678/4885
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 HDAC1 95/4885TRPV1 4410/4885KCNH2 2542/4885

“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.