SCHEMBL3612433

SCHEMBL3612433

O=C(O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CO)cc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.58
KCNH2 Q12809 3/20 0.58
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SSTR3 P32745 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3612988 0.88 HDAC1 (0.74) HDAC1KCNH2HDAC8HDAC6
SCHEMBL3603571 0.88 HDAC1 (0.60) HDAC1KCNH2RAB9AMEN1KMT2A
SCHEMBL4897402 0.88 HDAC1 (0.59) HDAC1KCNH2RAB9AMEN1KMT2A
SCHEMBL3612909 0.85 HDAC1 (0.78) HDAC1KCNH2
SCHEMBL3610675 0.84 HDAC1 (0.51) HDAC1KCNH2RAB9ACYP1A2MEN1
SCHEMBL5797598 0.84 HDAC1 (0.60) HDAC1KCNH2MEN1KMT2AHPGD
SCHEMBL5803687 0.83 HDAC1 (0.55) HDAC1KCNH2RAB9AMEN1KMT2A
SCHEMBL5317113 0.81 HDAC1 (0.51) HDAC1KCNH2
SCHEMBL3618243 0.79 TRPV1 (0.60) HDAC1RAB9AMEN1KMT2AHPGD
SCHEMBL3620465 0.78 HDAC1 (0.45) HDAC1KCNH2RAB9ACYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2007071961-A1 BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO 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 (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-20100075942-A1 N-PHENYL-4-PYRIDIN-2-YL-BENZAMIDE DERIVATIVES AS HISTONE DEACYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER HDAC1, HDAC2, HDAC3 HDAC1 1/4885KCNH2 2678/4885RAB9A 3314/4885

“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.