SCHEMBL8989735

SCHEMBL8989735

O=C(CCl)NC(=O)Nc1cc2c3c(c1)C(c1ccccc1)CCN3CCC2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
KMT2A Q03164 1/20 0.35
RNF4 P78317 1/20 0.34
IDO1 P14902 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL13524948 0.89 RIPK1 (0.40) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL1411818 0.89 MAPT (0.41) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL8989797 0.87 CCR3 (0.43) MAPTKDM4EKMT2ARAB9ACCR3
SCHEMBL8989689 0.85 SMN1; SMN2 (0.45) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL13620001 0.83 KMT2A (0.40) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL8988043 0.82 MAPT (0.43) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL13625662 0.82 MAPT (0.43) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL1411780 0.82 KDM1A (0.41) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL8989737 0.81 NPC1 (0.48) MAPTHTTKDM4ELMNAGAA
SCHEMBL11995852 0.81 EPHX1 (0.48) MAPTALDH1A1HTTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-8431702-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2013-04-30 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-12-06 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-8309729-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-11-13 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2012-08-23 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 US disclosed
WO-2009137681-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-IJ] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 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-20120214838-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MAPT 3441/4885ALDH1A1 466/4885HTT 776/4885
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MAPT 3441/4885ALDH1A1 466/4885HTT 776/4885
US-20120309782-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MAPT 3441/4885ALDH1A1 466/4885HTT 776/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 MAPT 3441/4885ALDH1A1 466/4885HTT 776/4885

“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.