SCHEMBL12037985

SCHEMBL12037985

CCCOc1ncc(C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.37
CSNK2A1 P68400 2/20 0.37
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
DRD1 P21728 1/20 0.33
CRHR1 P34998 1/20 0.33
ENPP1 P22413 1/20 0.33
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 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
SCHEMBL12037978 0.85 SLC13A5 (0.40) SSTR4ALDH1A1RAB9AKDM4ELMNA
SCHEMBL19823762 0.84 KCNJ5 (0.41) SSTR4ALDH1A1RAB9ANPC1LMNA
SCHEMBL18704558 0.84 CNR2 (0.39) MCOLN3CSNK2A1ALDH1A1LMNACYP2C9
SCHEMBL15599217 0.84 SSTR4 (0.38) SSTR4LMNACYP2C9TSHRAPEX1
SCHEMBL3375412 0.80 CSNK2A1 (0.39) MCOLN3CSNK2A1ALDH1A1RAB9AKDM4E
SCHEMBL17815703 0.78 SSTR4 (0.38) SSTR4LMNACYP2C9TSHRAPEX1
SCHEMBL22484223 0.78 HSP90AA1 (0.41) SSTR4CYP2C9SMN1; SMN2HPGDKMT2A
SCHEMBL20795396 0.78 MAPT (0.40) ALDH1A1RAB9AKDM4ENPC1LMNA
SCHEMBL19819860 0.78 SLC13A5 (0.42) ALDH1A1RAB9AKDM4ENPC1TSHR
SCHEMBL23608698 0.77 RORC (0.38) MCOLN3CSNK2A1ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213039-A1 PYRIDINIUM SALTS AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2022-07-07 US disclosed
WO-2020241614-A1 PYRIDINIUM SALTS AND PEST CONTROL AGENT 日本曹達株式会社 2020-12-03 WO disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 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 (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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 SSTR4 414/4885MCOLN3 2064/4885CSNK2A1 3420/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 SSTR4 414/4885MCOLN3 2064/4885CSNK2A1 3420/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 SSTR4 359/4885MCOLN3 2221/4885CSNK2A1 3182/4885
US-20220213039-A1 PYRIDINIUM SALTS AND PEST CONTROL AGENT ZYX, PNPO, PRDX1 SSTR4 3417/4885MCOLN3 1993/4885CSNK2A1 431/4885

“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.