SCHEMBL5583935

SCHEMBL5583935

C=CCc1ccc2ncccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ERN1 O75460 1/20 0.44
LMNA P02545 5/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL431328 0.80 MAPT (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5583739 0.77 ERN1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5615222 0.74 GABRA1 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1814299 0.74 ALDH1A1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL31106423 0.74 KDM4E (0.68) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL6892279 0.74 KDM4E (0.68) KMT2AMAPTKDM4EALDH1A1GAA
SCHEMBL7212101 0.74 LOXL2 (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11190488 0.73 CDK1 (0.46) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5583660 0.73 KDM4E (0.41) MAPTKDM4EALDH1A1GAALMNA
SCHEMBL14456319 0.73 KDM4E (0.39) MEN1KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384849-C Quinoline 3-Aminochroman Derivatives WYETH CORP (US) 2008-04-30 CN 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-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
CN-1809574-A Quinoline 3-amino chroman derivatives WYETH CORP (US) 2006-07-26 CN 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
EP-1432694-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES Wyeth (US) 2004-06-30 EP disclosed
EP-1432695-A1 A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS Wyeth (US) 2004-06-30 EP disclosed
US-6716998-B2 SUCH AS (2R)-3,4-DIHYDRO-2H-CHROMEN-2-YL-METHYL-4-METHYL-BENZENESULFONATE; METATHESIS RING CLOSING POLYMERIZATION WYETH 2004-04-06 US disclosed
US-6700001-B2 USEFUL AS INTERMEDIATES TO DRUGS INCLUDING THOSE TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS; STEREOSPECIFIC CYCLIZATION OF AN OPTICALLY ACTIVE PHENOL COMPOUND WYETH 2004-03-02 US disclosed
US-20030105342-A1 Process for stereoselective synthesis of 2-hydroxymethyl chromans WYETH 2003-06-05 US disclosed
US-20030100774-A1 Process for synthesis of 2-yl chroman derivatives WYETH (US) 2003-05-29 US disclosed
WO-2003031428-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES WYETH (US) 2003-04-17 WO disclosed
WO-2003031429-A1 A PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF 2-HYDROXYMETHYL-CHROMANS WYETH (US) 2003-04-17 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 (4 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-20030100774-A1 Process for synthesis of 2-yl chroman derivatives CDYL, CDY1; CDY1B, CDYL2 MEN1 655/4885KMT2A 226/4885MAPT 4517/4885
US-20030105342-A1 Process for stereoselective synthesis of 2-hydroxymethyl chromans CYP2S1, CYP1B1, CYP1A2 MEN1 1599/4885KMT2A 784/4885MAPT 4787/4885
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C MEN1 1748/4885KMT2A 1520/4885MAPT 1774/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C MEN1 1748/4885KMT2A 1520/4885MAPT 1774/4885

“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.