SCHEMBL6444359

SCHEMBL6444359

N#Cc1ccc(CNC([O])=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.57
EPHX2 P34913 1/20 0.56
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
CYP19A1 P11511 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
HTT P42858 1/20 0.46
NAMPT P43490 2/20 0.46
CYP2A6 P11509 1/20 0.45
PPARA Q07869 2/20 0.45
AKR1B1 P15121 1/20 0.45
PRMT3 O60678 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 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
SCHEMBL1695664 0.85 LOXL2 (0.57) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL6563716 0.83 CYP2C9 (0.59) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL5317088 0.83 EPHX2 (0.55) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL5315293 0.83 LOXL2 (0.60) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL22250101 0.83 EPHX2 (0.55) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL22060067 0.82 ERCC1 (0.55) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL5315364 0.80 EPHX2 (0.52) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL19049390 0.80 LOXL2 (0.56) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL7934897 0.80 EPHX2 (0.52) LOXL2EPHX2SAE1UBA2CYP19A1
SCHEMBL15630672 0.80 EPHX2 (0.52) LOXL2EPHX2SAE1UBA2CYP19A1

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 4 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
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 LOXL2 3067/4885EPHX2 1638/4885SAE1 4249/4885

“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.