SCHEMBL4382124

SCHEMBL4382124

[CH2]CCc1ccccc1Sc1c(C)[nH]c2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.38
TUBB4A P04350 4/20 0.37
TUBB P07437 4/20 0.37
TUBA3C P0DPH7 4/20 0.37
TUBA1B P68363 4/20 0.37
TUBA4A P68366 4/20 0.37
TUBB4B P68371 4/20 0.37
TUBB3 Q13509 4/20 0.37
TUBB2A Q13885 4/20 0.37
TUBB8 Q3ZCM7 4/20 0.37
TUBA3E Q6PEY2 4/20 0.37
TUBA1A Q71U36 4/20 0.37
TUBA1C Q9BQE3 4/20 0.37
TUBB6 Q9BUF5 4/20 0.37
TUBB2B Q9BVA1 4/20 0.37
TUBB1 Q9H4B7 4/20 0.37

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
SCHEMBL1399228 0.88 MPO (0.45) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL4385750 0.86 MPO (0.49) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL1399225 0.83 IFNAR1 (0.44) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL1399375 0.78 PTGS1 (0.47) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL4383005 0.77 GABRA1 (0.38) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL1399263 0.76 PTGS2 (0.45) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL1399484 0.75 PTGS1 (0.45) PTGS1PTGS2SMN1; SMN2LMNAKDM4E
SCHEMBL1399321 0.74 PTGS2 (0.48) PTGS1PTGS2SMN1; SMN2KDM4ETUBB4A
SCHEMBL3418671 0.74 HTR1A (0.55) PTGS1PTGS2SLC6A4HTR2AHTR2C
SCHEMBL1399401 0.74 IDO1 (0.44) PTGS1PTGS2SMN1; SMN2LMNAKDM4E

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-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 PTGS1 2394/4885PTGS2 1170/4885SMN1; SMN2 907/4885

“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.