SCHEMBL4577136

SCHEMBL4577136

O=C(CCl)Nc1ccc2c(c1)CC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.56
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
TLK2 Q86UE8 1/20 0.52
CASP3 P42574 1/20 0.50
AHR P35869 1/20 0.50
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL28449768 0.90 HDAC3 (0.57) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL29415336 0.90 HDAC3 (0.57) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL153425 0.87 SMYD3 (0.57) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL19709975 0.86 SMYD3 (0.60) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL18302934 0.84 SMYD3 (0.68) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL19692229 0.84 HDAC3 (0.54) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL22006782 0.83 SMYD3 (0.54) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL155039 0.82 SMYD3 (0.53) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL18302945 0.82 SMYD3 (0.53) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL18302951 0.82 HDAC3 (0.61) SMYD3HDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204002-B1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS INTERNATIONAL SOC FOR DRUG DEVELOPMENT S R L (IT) 2021-05-19 EP disclosed
EP-3204002-B1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF TUMORS INTERNATIONAL SOC FOR DRUG DEVELOPMENT S R L (IT) 2021-05-19 EP disclosed
US-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP disclosed
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C SMYD3 2231/4885HDAC3 818/4885HDAC4 1496/4885

“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.