SCHEMBL3602053

SCHEMBL3602053

CCOC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
MAPT P10636 7/20 0.52
KDM4E B2RXH2 7/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 2/20 0.49
ALDH1A1 P00352 7/20 0.49
HTT P42858 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL2876735 0.99 LMNA (0.56) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL2924216 0.90 SMN1; SMN2 (0.53) LMNAMAPTKDM4EKMT2AMAPK1
SCHEMBL3612946 0.88 CYP1A2 (0.49) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL3618104 0.87 KMT2A (0.48) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL4920737 0.83 TUBB4A (0.49) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL3609170 0.82 MAPK1 (0.45) LMNAMAPTKDM4EKMT2AMAPK1
SCHEMBL3476668 0.82 RXFP1 (0.49) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL3606479 0.81 MAPK1 (0.43) LMNAMAPTKDM4EKMT2AMAPK1
SCHEMBL3615857 0.80 LMNA (0.48) LMNAMAPTKDM4EKMT2AHIF1A
SCHEMBL2924397 0.79 ALDH1A1 (0.41) LMNAMAPTKDM4EMAPK1HIF1A

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 716/4885KDM4E 1320/4885

“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.