SCHEMBL5116427

SCHEMBL5116427

C=C(c1csc2ccccc12)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CHRNA7 P36544 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 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
SCHEMBL31181987 0.81 HTT (0.97) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL5158118 0.75 HPGD (0.66) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL5177559 0.74 HPGD (0.68) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL13134183 0.72 HDAC3 (0.53) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL8983561 0.71 LMNA (0.50) LMNAHPGDALDH1A1HDAC8MAPT
SCHEMBL13150685 0.71 HSD17B10 (0.60) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL10681127 0.70 POLB (0.53) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL5774939 0.69 PRNP (0.44) HTTLMNAHPGDALDH1A1CYP1A2
SCHEMBL31181986 0.68 HTT (0.74) HTTLMNAHPGDALDH1A1HSD17B10
SCHEMBL31182026 0.68 HPGD (0.74) HTTLMNAHPGDALDH1A1HSD17B10

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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 HTT 3326/4885LMNA 2133/4885HPGD 906/4885

“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.