SCHEMBL761540

SCHEMBL761540

CS(=O)(=O)NCCc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 1.00
MTNR1A P48039 6/20 0.55
KEAP1 Q14145 1/20 0.53
CA2 P00918 3/20 0.53
MTNR1B P49286 4/20 0.48
POLB P06746 1/20 0.47
HTR6 P50406 2/20 0.46
HPGD P15428 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL10312248 0.83 NQO2 (0.71) NQO2KEAP1CA2CA12CA1
SCHEMBL31594624 0.83 NQO2 (0.71) NQO2KEAP1CA2CA12CA1
SCHEMBL8858490 0.81 NQO2 (0.68) NQO2MTNR1ACA2HTR6HPGD
SCHEMBL5609972 0.77 NQO2 (0.63) NQO2MTNR1AKEAP1CA2
SCHEMBL606293 0.77 MTNR1A (0.63) NQO2MTNR1AHPGDHTT
SCHEMBL8794788 0.76 HPGD (0.64) NQO2MTNR1ACA2HPGDCA12
SCHEMBL8883022 0.76 NQO2 (0.61) NQO2MTNR1AHTR6
SCHEMBL3295201 0.76 NQO2 (0.61) NQO2MTNR1ACA2POLBHPGD
SCHEMBL5725032 0.76 NQO2 (0.61) NQO2CA2POLBCA12CA1
Hydrochloric Acid SCHEMBL27581438 0.75 MTNR1A (0.61) NQO2MTNR1AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 US disclosed
US-8138218-B2 Growth hormone secretagogues IPSEN PHARMA S.A.S. (FR) 2012-03-20 US disclosed
US-20090131478-A1 Growth Hormone Secretagogues IPSEN PHARMA S.A.S. (FR) 2009-05-21 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-20090131478-A1 Growth Hormone Secretagogues GHSR, GHRHR, GHITM NQO2 3273/4885MTNR1A 478/4885KEAP1 4496/4885
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 NQO2 390/4885MTNR1A 2622/4885KEAP1 2728/4885

“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.