SCHEMBL3564800

SCHEMBL3564800

OCc1cc(Cl)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 4/20 0.40
RAD52 P43351 3/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 4/20 0.39
SLC2A1 P11166 1/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4278249 0.84 KDM4E (0.49) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL6089983 0.83 KMT2A (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL29518259 0.81 MAOA (0.45) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL18740731 0.81 MAOA (0.45) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL9315070 0.81 MAOA (0.45) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL29219366 0.81 ALDH1A1 (0.46) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL14128989 0.79 KDM4E (0.60) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL14352265 0.79 MAOA (0.42) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL29219438 0.79 KCNH2 (0.48) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL31434291 0.78 MEN1 (0.45) KDM4EGLAKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102491969-A Heteroaromatic quinoline compounds PFIZER PROD INC 2012-06-13 CN disclosed
US-7825254-B2 Heteroaromatic quinoline compounds PFIZER INC. (US) 2010-11-02 US disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 US disclosed
CN-101098866-A Heteroaromatic quinoline compounds and their use as pde10 inhibitors PFIZER (US) 2008-01-02 CN disclosed
US-20060154931-A1 Heteroaromatic quinoline compounds PFIZER INC 2006-07-13 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 (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-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A MAOA 25/4885MAOB 30/4885KDM4E 1059/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A MAOA 25/4885MAOB 30/4885KDM4E 1059/4885

“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.