SCHEMBL6417909

SCHEMBL6417909

CCOC(=O)c1[nH]nc(C)c1Sc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45
▸ TUBB3 Q13509 2/20 0.45
▸ TUBB2A Q13885 2/20 0.45
▸ TUBB8 Q3ZCM7 2/20 0.45
▸ TUBA3E Q6PEY2 2/20 0.45
▸ TUBA1A Q71U36 2/20 0.45
▸ TUBA1C Q9BQE3 2/20 0.45
▸ TUBB6 Q9BUF5 2/20 0.45
▸ TUBB2B Q9BVA1 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
SCHEMBL5317799 0.77 TRPM8 (0.49) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL6418611 0.75 AR (0.49) MAPTKDM4ENPSR1POLBPDE4D
SCHEMBL22816264 0.74 MAPT (0.42) MAPTKDM4EGAAATMNPSR1
SCHEMBL23453719 0.73 POLB (0.52) MAPTKDM4ENPSR1L3MBTL1POLB
SCHEMBL6108908 0.73 PDE4D (0.56) MAPTKDM4EPOLBPDE4DRAB9A
SCHEMBL6417214 0.73 KDM4E (0.60) MAPTKDM4ENPSR1POLBTSHR
SCHEMBL23453730 0.72 NPC1 (0.46) MAPTKDM4ENPSR1POLBTSHR
SCHEMBL5317300 0.72 HDAC6 (0.54) MAPTKDM4ENPSR1POLBNPC1
SCHEMBL2190526 0.71 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19805499 0.70 KDM4E (0.49) MAPTKDM4ENPSR1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor BAYER HEALTHCARE AG (DE) 2005-06-02 — — 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-20050119489-A1 4-Sulfide/sulfoxide/sulfonyl-1h-pyrazolyl derivative compounds, for use in diseases associated with the 5-ht2c receptor HTR2C, HTR2A, HTR2B MAPT 4451/4885KDM4E 2840/4885GAA 4643/4885

“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.

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