SCHEMBL6846145

SCHEMBL6846145

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(ccn3-c3cccnc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
POLB P06746 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NAMPT P43490 1/20 0.53
CCR9 P51686 3/20 0.50
NR1I2 O75469 1/20 0.46
BRD4 O60885 1/20 0.46
BRD1 O95696 1/20 0.46
BRPF1 P55201 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
BRPF3 Q9ULD4 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
UQCRB P14927 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL6845454 0.90 KMT2A (0.51) ALDH1A1POLBHTTSMN1; SMN2NAMPT
SCHEMBL6840912 0.89 POLB (0.54) ALDH1A1POLBHTTSMN1; SMN2NAMPT
SCHEMBL6844273 0.87 BRD4 (0.57) ALDH1A1POLBHTTSMN1; SMN2BRD4
SCHEMBL6656125 0.86 MEN1 (0.57) ALDH1A1HTTSMN1; SMN2BRD4BRD1
SCHEMBL6844284 0.86 BRD1 (0.53) POLBNAMPTBRD4BRD1BRPF1
SCHEMBL6847813 0.86 KEAP1 (0.60) ALDH1A1HTTSMN1; SMN2BRD4BRD1
SCHEMBL6658847 0.84 BRPF1 (0.60) BRD4BRD1BRPF1BRD9BRPF3
SCHEMBL6659457 0.84 KMT2A (0.48) ALDH1A1POLBHTTNR1I2BRD4
SCHEMBL6844486 0.82 KMT2A (0.47) SMN1; SMN2NAMPTCCR9BRD4BRD1
SCHEMBL6845979 0.81 BRPF1 (0.53) ALDH1A1POLBNAMPTBRD4BRD1

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 ALDH1A1 126/4885POLB 2154/4885HTT 3953/4885

“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.