SCHEMBL13780325

SCHEMBL13780325

COc1cccc(C(=O)c2cnc(SC)nc2NCc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ VNN1 O95497 3/20 0.42
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALDH1A1 P00352 2/20 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
SCHEMBL13780291 0.79 TDP1 (0.62) HTTLMNAHPGDNPSR1MAPT
SCHEMBL28890958 0.78 ALDH1A1 (0.58) HTTLMNAHPGDNPSR1MAPT
SCHEMBL4213068 0.78 MEN1 (0.46) HTTLMNAVNN1MEN1KMT2A
SCHEMBL4977772 0.71 PDE5A (0.58) —
SCHEMBL13780296 0.70 HPGD (0.45) HTTLMNAHPGDNPSR1MAPT
SCHEMBL14875464 0.69 HTT (0.48) HTTLMNAVNN1TP53SMN1; SMN2
SCHEMBL16824947 0.69 HTT (0.48) HTTLMNATP53SMN1; SMN2POLB
SCHEMBL14633165 0.69 ALDH1A1 (0.51) HTTLMNAHPGDNPSR1MAPT
SCHEMBL4211696 0.68 CD38 (0.45) HTTLMNAHPGDNPSR1MAPT
SCHEMBL4213051 0.68 PPARG (0.54) LMNAHPGDNPSR1MAPTSMN1; SMN2

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
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 — — EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 HTT 3925/4885LMNA 4047/4885HPGD 1929/4885

“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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