SCHEMBL4944740

SCHEMBL4944740

CN1C=Cc2ccccc2CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
CCL2 P13500 1/20 0.45
NOTUM Q6P988 1/20 0.39
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
TLR9 Q9NR96 2/20 0.38
MEN1 O00255 1/20 0.38
HDAC3 O15379 1/20 0.38
RNASEH1 O60930 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PKM P14618 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CASP3 P42574 1/20 0.35
CASP6 P55212 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL10963719 0.77 BRD4 (0.39) BRD4CCL2NOTUMGAAKMT2A
SCHEMBL3693653 0.74 BRD4 (0.64) BRD4CCL2GAAKMT2AMEN1
SCHEMBL11716478 0.70 HDAC3 (0.33) BRD4CCL2HDAC3MAOAMAOB
SCHEMBL6095630 0.69 TRPA1 (0.42) NOTUMGAAKMT2ATLR9MEN1
SCHEMBL35261 0.69
SCHEMBL13239543 0.69 CYP1A2 (0.52) BRD4NOTUMGAAKMT2ATLR9
SCHEMBL30385312 0.68 HDAC3 (0.41) BRD4CCL2NOTUMKMT2AMEN1
SCHEMBL6017106 0.68 HDAC3 (0.38) BRD4CCL2KMT2AHDAC3CYP1A2
SCHEMBL1564351 0.68 HDAC3 (0.41) BRD4CCL2NOTUMKMT2AMEN1
SCHEMBL16140055 0.68 BRD4 (0.57) BRD4CCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
EP-1345955-B1 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE LILLY CO ELI (US) 2008-08-20 EP disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US disclosed
EP-1353910-B1 LACTAM COMPOUND LILLY CO ELI (US) 2007-05-23 EP disclosed
EP-1341531-B1 LACTAM COMPOUND TO INHIBIT BETA-AMYLOID PEPTIDE RELEASE OR SYNTHESIS LILLY CO ELI (US) 2007-01-17 EP 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 BRD4 1598/4885CCL2 330/4885NOTUM 379/4885
US-20070299053-A1 Lactam compound AAAS, ORMDL3, NAALAD2 BRD4 913/4885CCL2 3491/4885NOTUM 6/4885

“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.