SCHEMBL6443445

SCHEMBL6443445

CC(C)(C)N(NCc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
PPARA Q07869 1/20 0.44
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CYP19A1 P11511 1/20 0.41
HTT P42858 1/20 0.41
NSD2 O96028 1/20 0.41
CTBP2 P56545 1/20 0.40
RORC P51449 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
POLB P06746 1/20 0.40
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
SNCA P37840 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL6445755 0.81 ESRRG (0.44) POLBMEN1KMT2A
SCHEMBL6443262 0.81 RIPK1 (0.47) HTTPOLBMEN1NPC1KMT2A
SCHEMBL6445307 0.80 HPGD (0.50) HTTPOLBNPC1KMT2A
SCHEMBL6279491 0.80 EPHX2 (0.47) EPHX2
SCHEMBL6443036 0.78 NPC1 (0.51) EPHX2HTTMEN1NPC1KMT2A
SCHEMBL17701291 0.75 NSD2 (0.48) EPHX2LOXL2SAE1UBA2HTT
SCHEMBL20551248 0.72 LOXL2 (0.64) EPHX2LOXL2SAE1UBA2CYP19A1
SCHEMBL2578237 0.72 EPHX2 (0.62) EPHX2LOXL2PPARASAE1UBA2
SCHEMBL5028368 0.72 HRH3 (0.45) EPHX2PPARACYP19A1HTTNSD2
SCHEMBL1695664 0.71 LOXL2 (0.57) EPHX2LOXL2PPARASAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 EPHX2 1638/4885LOXL2 3067/4885PPARA 2284/4885

“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.