SCHEMBL4773013

SCHEMBL4773013

Nc1cccc2c(=O)cc(C=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NQO1 P15559 1/20 0.36
CYP2A6 P11509 1/20 0.36
PRKDC P78527 2/20 0.35
THRB P10828 1/20 0.35
PAX8 Q06710 1/20 0.35
LCK P06239 1/20 0.35
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4773864 0.81 HPGD (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4777597 0.75 GPR35 (0.60) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL28290283 0.72 GPR35 (0.47) KDM4EALDH1A1SMN1; SMN2LOXL2NPC1
SCHEMBL4253451 0.72 GPR35 (0.61) KDM4EALDH1A1GPR35
SCHEMBL3844010 0.72 NPC1 (0.65) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL23240707 0.70 ATP1A1 (0.47) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL28290280 0.70 PRKDC (0.36) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL28213200 0.69 KMT2A (0.58) KDM4EMAPTALDH1A1HPGDNQO1
SCHEMBL909747 0.69 CYP1A2 (0.64) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL24254913 0.69 ALDH1A1 (0.55) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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 KDM4E 3474/4885MAPT 3497/4885ALDH1A1 811/4885

“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.