SCHEMBL2294730

SCHEMBL2294730

O=C(CNCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 3/20 0.51
LMNA P02545 4/20 0.51
NPC1 O15118 3/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
AGTR1 P30556 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.47

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
Hydrochloric Acid SCHEMBL3999228 0.98 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL10490526 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10339600 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL7348869 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9ALMNANPC1
SCHEMBL2291802 0.84 NPC1 (0.63) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL11838056 0.83 HDAC8 (0.50) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL2293488 0.83 MAPT (0.55) ALDH1A1MAPTCYP3A4CYP2D6CYP2C19
SCHEMBL2290144 0.83 MAPT (0.62) ALDH1A1MAPTRAB9ALMNANPC1
Hydrochloric Acid SCHEMBL6461920 0.83 DPP4 (0.51) ALDH1A1LMNAHDAC8HDAC6SMN1; SMN2
SCHEMBL2294832 0.83 MEN1 (0.51) ALDH1A1KDM4EMAPTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1975170-B9 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-11-02 EP disclosed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-1975170-B1 Bisphosphine ligands for asymmetric syntheses DAIICHI FINE CHEM CO LTD (JP) 2011-03-09 EP disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-7569730-B2 Bisphosphine ligand DAIICHI FINE CHEMICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569730-B2 Bisphosphine ligand DAIICHI FINE CHEMICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
US-20080242534-A1 NOVEL BISPHOSPHINE LIGAND DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-10-02 US disclosed
US-20080242534-A1 NOVEL BISPHOSPHINE LIGAND DAIICHI FINE CHEMICAL CO., LTD. (JP) 2008-10-02 US disclosed
EP-1975170-A1 Bisphosphine ligands for asymmetric syntheses Daiichi Fine Chemical Co., Ltd. (JP) 2008-10-01 EP disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885MAPT 1/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885MAPT 1/4885
US-20080242534-A1 NOVEL BISPHOSPHINE LIGAND GPR4, HRH4, GPR3 ALDH1A1 2934/4885KDM4E 3786/4885MAPT 4874/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885MAPT 1/4885

“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.