SCHEMBL3476832

SCHEMBL3476832

O=C(Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 4/20 0.45
EPHX1 P07099 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
EPHX2 P34913 2/20 0.45
TSHR P16473 1/20 0.45
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL3478092 0.99 ALDH1A1 (0.47) MAPK10RAB9AALDH1A1LMNAMAPT
SCHEMBL3477190 0.86 HPGD (0.45) MAPK10RAB9AALDH1A1LMNAMAPT
SCHEMBL3477337 0.85 HPGD (0.44) MAPK10RAB9AALDH1A1MAPTKDM4E
SCHEMBL3477856 0.84 HPGD (0.45) RAB9AALDH1A1LMNAMAPTKDM4E
SCHEMBL3475618 0.83 CNR1 (0.52) NPSR1EPHX2SMN1; SMN2TUBB4ATUBB
SCHEMBL3477280 0.83 HPGD (0.49) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL3477517 0.83 KDR (0.51) RAB9ALMNAMAPTNPSR1NPC1
SCHEMBL3475544 0.82 TUBB4A (0.47) RAB9AALDH1A1MAPTKDM4EGAA
SCHEMBL8938335 0.82 PTGS2 (0.56) MAPK10ALDH1A1MAPTKDM4EGAA
SCHEMBL3476919 0.81 TUBB4A (0.42) MAPK10ALDH1A1MAPTKDM4EHSD17B10

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
EP-1898927-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002481-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, RTF1, POLR1E MAPK10 3627/4885RAB9A 1995/4885ALDH1A1 1178/4885

“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.