SCHEMBL3970092

SCHEMBL3970092

[NH]c1ccc(Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ HTR6 P50406 3/20 0.71
▸ AHR P35869 3/20 0.67
▸ GPR84 Q9NQS5 3/20 0.67
▸ CYP3A4 P08684 3/20 0.67
▸ MAPT P10636 2/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ HTR2A P28223 3/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTR1D P28221 2/20 0.50
▸ HTR1B P28222 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ MPO P05164 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50

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
SCHEMBL553605 0.85 MEN1 (1.00) MEN1KMT2AHTR6AHRGPR84
SCHEMBL30648199 0.85 MEN1 (1.00) MEN1KMT2AHTR6AHRGPR84
SCHEMBL16431661 0.83 MEN1 (0.74) MEN1KMT2AHTR6AHRGPR84
SCHEMBL5774387 0.83 MEN1 (0.74) MEN1KMT2AHTR6AHRGPR84
SCHEMBL4224120 0.83 HTR6 (1.00) MEN1KMT2AHTR6AHRGPR84
SCHEMBL5871352 0.83 MEN1 (0.74) MEN1KMT2AHTR6AHRGPR84
SCHEMBL147220 0.83 KMT2A (0.74) MEN1KMT2AHTR6AHRGPR84
SCHEMBL28781646 0.83 MEN1 (0.74) MEN1KMT2AHTR6AHRGPR84
SCHEMBL3086792 0.83 MEN1 (0.74) MEN1KMT2AHTR6AHRGPR84
Arundine SCHEMBL325162 0.81 MEN1 (1.00) MEN1KMT2AHTR6AHRGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 — — US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 — — US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 — — US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 MEN1 2102/4885KMT2A 3445/4885HTR6 4020/4885

“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