SCHEMBL19972046

SCHEMBL19972046

CCCc1c(N)c(O)c(CCC)c(CCC)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
USP7 Q93009 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
PGAM1 P18669 1/20 0.30

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
SCHEMBL12613823 0.85 USP7 (0.31) USP7
SCHEMBL12613340 0.82 USP7 (0.32) USP7
SCHEMBL28554741 0.81 HPGD (0.35) KDM4EALDH1A1HPGDLDHALDHB
SCHEMBL5587747 0.81 LDHA (0.39) KDM4EALDH1A1HPGDLDHALDHB
SCHEMBL27956893 0.78 HPGD (0.34) KDM4EALDH1A1HPGDLDHALDHB
SCHEMBL841074 0.78 NOS2 (0.37) NOS2KDM4EALDH1A1HPGD
SCHEMBL5187789 0.78 NOS2 (0.39) NOS2KDM4EALDH1A1HPGD
SCHEMBL1760496 0.78 HPGD (0.36) NOS2KDM4EALDH1A1HPGDLDHA
SCHEMBL5683272 0.73 LDHA (0.33) NOS2USP7KDM4EALDH1A1HPGD
SCHEMBL12339822 0.72 ALDH1A1 (0.38) NOS2KDM4EALDH1A1LDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 NOS2 817/4885USP7 3012/4885KDM4E 1441/4885

“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.