SCHEMBL806525

SCHEMBL806525

Cc1cc(F)cc2ccsc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CYP2A6 P11509 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL157640 0.80 SMN1; SMN2 (0.42) MEN1NPC1RAB9AKMT2ACYP2A6
SCHEMBL15910715 0.77 ALDH1A1 (0.38) MEN1KMT2ACYP2A6CYP3A4MAPT
SCHEMBL31306149 0.77 CYP2A6 (0.36) RAB9ACYP2A6MAPT
SCHEMBL4070586 0.77 CYP2A6 (0.36) RAB9ACYP2A6MAPT
SCHEMBL18876002 0.77 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3644685 0.77 ALOX15 (0.38) MEN1NPC1GAARAB9AKMT2A
SCHEMBL18875997 0.75 POLB (0.39) MEN1NPC1KMT2A
SCHEMBL22504305 0.74 MAPT (0.36) CYP2A6MAPT
SCHEMBL4847264 0.74 CA9 (0.38) MEN1KMT2ACYP2A6MAPT
SCHEMBL6598624 0.74 ALDH1A1 (0.33) CYP2A6MAPT

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
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US claimed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP claimed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP disclosed
EP-2944633-B1 PYRIDINE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-01-31 EP disclosed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US disclosed
US-9637469-B2 Pyridine derivative TEIJIN PHARMA LIMITED (JP) 2017-05-02 US disclosed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-20150284358-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-10-08 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 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-20150284358-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 MEN1 1977/4885NPC1 676/4885GAA 1553/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C MEN1 672/4885NPC1 2037/4885GAA 3221/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH MEN1 129/4885NPC1 989/4885GAA 4689/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 MEN1 1977/4885NPC1 676/4885GAA 1553/4885

“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.