SCHEMBL3603693

SCHEMBL3603693

COCCNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL3607440 0.89 HSD17B10 (0.47) LMNAMAPTTDP1HPGDALDH1A1
SCHEMBL3609888 0.88 HSD17B10 (0.48) LMNAMAPTTDP1ALDH1A1KDM4E
SCHEMBL3618104 0.84 KMT2A (0.48) LMNAMAPTTDP1ALDH1A1KDM4E
SCHEMBL3612946 0.83 CYP1A2 (0.49) LMNAMAPTTDP1ALDH1A1KDM4E
SCHEMBL3612857 0.82 LMNA (0.42) LMNAMAPTTDP1ALDH1A1POLB
SCHEMBL3619238 0.81 CYP3A4 (0.49) LMNAMAPTTDP1KMT2ACYP3A4
SCHEMBL3607172 0.81 NAMPT (0.48) LMNAMAPTTDP1ALDH1A1KMT2A
SCHEMBL3613862 0.80 LMNA (0.48) LMNAMAPTTDP1ALDH1A1KDM4E
SCHEMBL3476668 0.80 RXFP1 (0.49) LMNAMAPTTDP1ALDH1A1KDM4E
SCHEMBL2876735 0.80 LMNA (0.56) LMNAMAPTHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT LMNA 3908/4885MAPT 716/4885TDP1 90/4885

“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.