SCHEMBL3478092

SCHEMBL3478092

O=C(Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
EPHX1 P07099 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EPHX2 P34913 2/20 0.47
TSHR P16473 1/20 0.47
PTGS2 P35354 1/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL3476832 0.99 MAPK10 (0.46) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL3477337 0.86 HPGD (0.44) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL3477190 0.85 HPGD (0.45) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL3477856 0.83 HPGD (0.45) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL3475618 0.83 CNR1 (0.52) NPSR1EPHX2SMN1; SMN2CA1CA2
SCHEMBL3477280 0.83 HPGD (0.49) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL3477517 0.82 KDR (0.51) LMNAMAPTNPSR1RAB9ANPC1
SCHEMBL3475544 0.82 TUBB4A (0.47) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL8938335 0.81 PTGS2 (0.56) ALDH1A1KDM4EGAAMAPTNPSR1
SCHEMBL3476919 0.80 TUBB4A (0.42) ALDH1A1KDM4EMAPTHSD17B10MAPK10

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US 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 ALDH1A1 1178/4885LMNA 3689/4885KDM4E 1660/4885

“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.