SCHEMBL4383028

SCHEMBL4383028

[CH2]Cc1cc(OC)c(OC)cc1Sc1c[nH]c2cccc(Cl)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.57
GPR84 Q9NQS5 1/20 0.42
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40
TUBB6 Q9BUF5 3/20 0.40
TUBB2B Q9BVA1 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
PTGER3 P43115 4/20 0.40
PDE4D Q08499 2/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4386685 0.86 IDO1 (0.55) IDO1GPR84TUBB4ATUBBTUBA3C
SCHEMBL4396269 0.77 IDO1 (0.45) IDO1PTGER3PDE4DSLC6A4MEN1
SCHEMBL4391621 0.73 IDO1 (0.53) IDO1GPR84TUBB4ATUBBTUBA3C
SCHEMBL4389805 0.72 IDO1 (0.48) IDO1GPR84TUBB4ATUBBTUBA3C
SCHEMBL1399290 0.71 IDO1 (0.50) IDO1GPR84TUBB4ATUBBTUBA3C
SCHEMBL1399304 0.70 IDO1 (0.52) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28337297 0.70 NR4A2 (0.55) IDO1GPR84TUBB4ATUBBTUBA3C
SCHEMBL28210604 0.70 GPR84 (0.73) IDO1GPR84SLC6A4MEN1CYP3A4
SCHEMBL4395499 0.70 HTR2A (0.54) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1399349 0.70 IDO1 (0.48) IDO1GPR84PTGER3SLC6A4HTR2A

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 IDO1 45/4885GPR84 3005/4885TUBB4A 86/4885

“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.