SCHEMBL6881229

SCHEMBL6881229

NC1(OC=O)CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC9 Q9UKV0 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR2A P28223 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
SCHEMBL2468439 0.78 KDM1A (0.46) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL3423844 0.77 KDM1A (0.42) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL9058890 0.77 MEN1 (0.44) KDM1AMAOBTSHRMEN1KMT2A
SCHEMBL29527149 0.76 KDM1A (0.41) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL5674631 0.76 HDAC9 (0.44) KDM1AMAOBTSHRTDP1HDAC9
SCHEMBL7743674 0.75 KDM1A (0.41) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL29784907 0.74 KDM1A (0.53) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL6267106 0.74 KDM1A (0.53) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL7445452 0.74 KDM1A (0.46) KDM1AMAOBTSHRTDP1MEN1
SCHEMBL2465794 0.74 KDM1A (0.46) KDM1AMAOBTSHRTDP1MEN1

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
US-6825317-B2 HISTONE DEACETYLASE INHIBITOR, A MAJOR HISTOCOMPATIBILITY COMPLEX CLASS-I MOLECULE EXPRESSION-PROMOTING AGENT AND ANTICANCER AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-30 US disclosed
US-20020120099-A1 Novel cyclic tetrapeptide derivatives and pharmaceutical uses thereof JAPAN ENERGY CORPORATION (JP) 2002-08-29 US disclosed
EP-1174438-A1 NOVEL CYCLIC TETRAPEPTIDE DERIVATIVES AND USE THEREOF AS DRUGS Japan Energy Corporation (JP) 2002-01-23 EP disclosed
US-4061628-A Intermediates for producing semi-synthetic penicillins and cephalosporins and methods of production AMERICAN HOME PRODUCTS CORPORATION (US) 1977-12-06 US disclosed
US-3997532-A Intermediates for producing semi-synthetic cephalosporins AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 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-20020120099-A1 Novel cyclic tetrapeptide derivatives and pharmaceutical uses thereof MICA, HDAC11, HDAC1 KDM1A 272/4885MAOB 4027/4885TSHR 3323/4885

“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.