SCHEMBL11951790

SCHEMBL11951790

COC(=O)c1ccc(F)cc1Oc1cc(C)c(N=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK10 P53779 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ NNMT P40261 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
SCHEMBL11942099 0.80 HSPB1 (0.42) FFAR4MEN1KMT2AMAPK10SMN1; SMN2
SCHEMBL11942100 0.75 MEN1 (0.42) FFAR4MEN1KMT2AMAPK10SMN1; SMN2
SCHEMBL2609137 0.74 SLC6A4 (0.45) FFAR4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1957004 0.73 FFAR4 (0.43) FFAR4MEN1KMT2AMAPK10SMN1; SMN2
SCHEMBL1959198 0.72 SLC6A3 (0.51) FFAR4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1146881 0.70 FFAR4 (0.55) FFAR4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4714318 0.70 HSPB1 (0.49) MEN1KMT2AKDM4E
SCHEMBL1956720 0.70 FFAR4 (0.47) FFAR4MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1956091 0.70 CDK8 (0.49) FFAR4MAPK10
SCHEMBL1958630 0.69 FFAR4 (0.46) FFAR4MEN1KMT2ANPC1RAB9A

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-20120190688-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BRUNCKO MILAN (US) 2012-07-26 — — US disclosed
US-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 — — 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 (2 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-20100305122-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3854/4885MEN1 3634/4885KMT2A 3560/4885
US-20120190688-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885MEN1 3502/4885KMT2A 3558/4885

“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.

Send feedback