SCHEMBL5584049

SCHEMBL5584049

Cc1ccc(S(=O)(=O)OC2COc3ccc4ncccc4c3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
COMT P21964 1/20 0.33
NMT1 P30419 2/20 0.33

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
SCHEMBL5583908 0.83 CYP2D6 (0.38) HTR1ASMN1; SMN2HTTCYP2D6LMNA
SCHEMBL5583694 0.77 HTR1A (0.41) HTR1ACYP1A2MEN1KMT2ATDP1
SCHEMBL4335133 0.73 LMNA (0.39) HTR1ASMN1; SMN2HTTCYP2D6LMNA
SCHEMBL4363802 0.73 LMNA (0.39) HTR1ASMN1; SMN2HTTCYP2D6LMNA
SCHEMBL5583686 0.69 MAPT (0.43) HTR1AHTTLMNACYP1A2MEN1
SCHEMBL5583735 0.69 MAPT (0.43) HTR1AHTTLMNACYP1A2MEN1
Hydrochloric Acid SCHEMBL5586785 0.68 HTR1A (0.42) HTR1AHTTLMNACYP1A2MEN1
SCHEMBL181141 0.66 CYP2D6 (0.54) SMN1; SMN2CYP2D6CYP1A2MEN1KMT2A
SCHEMBL718466 0.65 CYP2D6 (0.51) SMN1; SMN2HTTCYP2D6LMNAALDH1A1
SCHEMBL14439255 0.64 HTR1A (0.39) HTR1AHTTLMNAMEN1KMT2A

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 HTR1A 5/4885SMN1; SMN2 3082/4885HTT 855/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C HTR1A 5/4885SMN1; SMN2 3082/4885HTT 855/4885

“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.