SCHEMBL4773864

SCHEMBL4773864

Nc1cccc2c(=O)cc(C=NO)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
GPR35 Q9HC97 3/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GFER P55789 1/20 0.33
PRKDC P78527 1/20 0.33
USP2 O75604 1/20 0.33
CSNK2A2 P19784 1/20 0.33
PTGS1 P23219 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL4773013 0.81 KDM4E (0.42) HPGDKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL4773742 0.79 GPR35 (0.60) HPGDKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL28290283 0.71 GPR35 (0.47) KDM4ESMN1; SMN2ALDH1A1LOXL2GPR35
SCHEMBL4253451 0.71 GPR35 (0.61) KDM4EALDH1A1GPR35USP2CSNK2A2
SCHEMBL4251645 0.67 KDM4E (0.53) KDM4EMAPTALDH1A1GPR35
SCHEMBL23240707 0.66 ATP1A1 (0.47) HPGDKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL28290280 0.66 PRKDC (0.36) HPGDKDM4EMAPTALDH1A1HTT
SCHEMBL4247291 0.65 AKR1B1 (0.56) HPGDKDM4EMAPTALDH1A1GPR35
SCHEMBL909747 0.65 CYP1A2 (0.64) HPGDKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL24254913 0.65 ALDH1A1 (0.55) HPGDKDM4EMAPTSMN1; SMN2ALDH1A1

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
EP-1897873-A1 A process for the preparation of nitrile compounds used as intermediates in the synthesis of cysteinyl leukotrienes antagonists Dipharma Francis S.r.l. (IT) 2008-03-12 EP claimed
US-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2008-02-14 US claimed
EP-1897873-A1 A process for the preparation of nitrile compounds used as intermediates in the synthesis of cysteinyl leukotrienes antagonists Dipharma Francis S.r.l. (IT) 2008-03-12 EP disclosed
US-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS DIPHARMA FRANCIS S.R.L. (IT) 2008-02-14 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-20080039640-A1 PROCESS FOR THE PREPARATION OF NITRILE COMPOUNDS NOS1, REN, NOS2 HPGD 435/4885KDM4E 3474/4885MAPT 3497/4885

“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.