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SCHEMBL5583908

SCHEMBL5583908

Cc1ccc(S(=O)(=O)OC2COc3c(ccc4ncccc34)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ COMT P21964 1/20 0.33
▸ NMT1 P30419 3/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL5584049 0.83 HTR1A (0.39) CYP2D6HTR1ASMN1; SMN2HTTALDH1A1
SCHEMBL6081251 0.72 ALDH1A1 (0.39) CYP2D6SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6081826 0.72 ALDH1A1 (0.39) CYP2D6SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6081254 0.72 ALDH1A1 (0.39) CYP2D6SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL4363802 0.71 LMNA (0.39) CYP2D6HTR1ASMN1; SMN2HTTALDH1A1
SCHEMBL4335133 0.71 LMNA (0.39) CYP2D6HTR1ASMN1; SMN2HTTALDH1A1
SCHEMBL5583567 0.69 MAPT (0.43) HTR1AHTTLMNACYP1A2MEN1
SCHEMBL5583811 0.69 MAPT (0.43) HTR1AHTTLMNACYP1A2MEN1
SCHEMBL5583824 0.69 MAPT (0.43) HTR1AHTTLMNACYP1A2MEN1
SCHEMBL5583918 0.69 MAPT (0.43) HTR1AHTTLMNACYP1A2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 — — US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 — — US disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 — — US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 — — US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 — — US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 — — US disclosed
EP-1638976-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES Wyeth (US) 2006-03-29 — — EP disclosed
US-20050004157-A1 Quinoline 3-amino chroman derivatives WYETH 2005-01-06 — — US disclosed
WO-2004099214-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES WYETH (US) 2004-11-18 — — WO 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 (2 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-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C CYP2D6 248/4885HTR1A 5/4885SMN1; SMN2 3082/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C CYP2D6 248/4885HTR1A 5/4885SMN1; SMN2 3082/4885

“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.