SCHEMBL5747124

SCHEMBL5747124

CN(C)C(=Nc1cccc2ccc3cccc(N=C(N(C)C)N(C)C)c3c12)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 6/20 0.37
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33
THRB P10828 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5745827 0.98 KDM4E (0.39) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL676864 0.94 KDM4E (0.41) CYP3A4ALDH1A1HPGDHSD17B10TSHR
Hydrochloric Acid SCHEMBL5746772 0.92 MAPT (0.40) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL13967975 0.87 SIGMAR1 (0.45) CYP3A4ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13967926 0.87 KDM4E (0.34) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL13967982 0.86 KDM4E (0.33) KDM4EGAAMAPTSIGMAR1
SCHEMBL13967904 0.81 KDM4E (0.32) KDM4EGAAMAPTSIGMAR1
SCHEMBL16376115 0.81 HTR2A (0.34) KDM4EGAAMAPTSIGMAR1HTR2A
SCHEMBL13967928 0.81 KDM4E (0.32) KDM4EGAAMAPTSIGMAR1
SCHEMBL13967970 0.80 SIGMAR1 (0.33) ALDH1A1HPGDHSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060269498-A1 Hair shaping composition comprising at least one polyguanidine other than hydroxide L'OREAL S.A. (FR) 2006-11-30 US claimed
EP-1487449-A4 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-08-23 EP claimed
US-7094895-B2 Tyrosyl derivatives and their use as P2X7 receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-08-22 US claimed
EP-1487449-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-12-22 EP claimed
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators CREDIT SUISSE AG 2003-09-25 US claimed
WO-2003059353-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-07-24 WO claimed
US-20120295148-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, ELECTRONIC APPLIANCE, POWER TOOL, ELECTRIC VEHICLE, AND ELECTRIC POWER STORAGE SYSTEM SONY CORPORATION (JP) 2012-11-22 US disclosed
US-20120295148-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, ELECTRONIC APPLIANCE, POWER TOOL, ELECTRIC VEHICLE, AND ELECTRIC POWER STORAGE SYSTEM SONY CORPORATION (JP) 2012-11-22 US disclosed
US-20060269498-A1 Hair shaping composition comprising at least one polyguanidine other than hydroxide L'OREAL S.A. (FR) 2006-11-30 US disclosed
EP-1723946-A1 Composition for straightening the hair comprising at least one multi-guanidine not being a hydroxide L'OREAL (FR) 2006-11-22 EP disclosed
EP-1723947-A1 Hair waving composition comprising at least a multiguanidine L'OREAL (FR) 2006-11-22 EP disclosed
EP-1487449-A4 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-08-23 EP disclosed
US-7094895-B2 Tyrosyl derivatives and their use as P2X7 receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-08-22 US disclosed
EP-1487449-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-12-22 EP disclosed
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators CREDIT SUISSE AG 2003-09-25 US disclosed
WO-2003059353-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-07-24 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 (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-20060269498-A1 Hair shaping composition comprising at least one polyguanidine other than hydroxide KRT18, PLOD3, PRKDC CYP3A4 4581/4885ALDH1A1 1999/4885HPGD 1380/4885
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators P2RX7, P2RX3, P2RX5 CYP3A4 934/4885ALDH1A1 2288/4885HPGD 2042/4885

“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.