SCHEMBL3567620

SCHEMBL3567620

CCOC(=O)c1ccc(NC(=O)c2ccc3cccnc3c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 4/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
TRPV1 Q8NER1 1/20 0.48
EGLN1 Q9GZT9 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
P2RY14 Q15391 1/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
NOTUM Q6P988 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
SCHEMBL29878621 0.78 NPC1 (0.55) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL2671850 0.78 NPC1 (0.55) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL3576878 0.78 ESR1 (0.57) KMT2AMAPTL3MBTL1RAB9ANPC1
SCHEMBL3574799 0.77 MEN1 (0.57) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL1161741 0.77 TSHR (0.50) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL22680456 0.75 CHRM1 (0.59) MEN1KMT2ARAB9ANPC1TRPV1
SCHEMBL3572588 0.74 JAK2 (0.46) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL6675739 0.74 SMN1; SMN2 (0.44) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL3878438 0.73 MEN1 (0.74) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL16318414 0.73 NPC1 (0.56) MEN1KMT2AMAPTPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 MEN1 4245/4885KMT2A 2659/4885MAPT 1807/4885

“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.