SCHEMBL1504095

SCHEMBL1504095

Fc1cc(Cl)ccc1N(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TP53 P04637 1/20 0.35
FSCN1 Q16658 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 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
SCHEMBL10494526 0.82 KMT2A (0.44) KMT2AGAASLC6A2SLC6A4SLC6A3
SCHEMBL2434424 0.75 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CYP2A6
SCHEMBL23555163 0.74 CCR5 (0.39) KMT2AGAASLC6A2SLC6A4SLC6A3
SCHEMBL23638850 0.74 S100A4 (0.46) TP53LMNACYP2A6
SCHEMBL30598347 0.74 S100A4 (0.46) TP53LMNACYP2A6
SCHEMBL530450 0.73
SCHEMBL29443091 0.73
SCHEMBL6692254 0.71 MAP2K2 (0.30)
SCHEMBL979334 0.71 DGAT1 (0.41) KMT2AGAATP53ALDH1A1ALOX15
SCHEMBL9837348 0.71 FSCN1 (0.40) KMT2ATP53FSCN1ALDH1A1TSHR

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-6747175-B2 EXCHANGING A CHLORINE ATOM AND A FLUORINE ATOM IN A BENZYL POSITION; RING CHLORINATION RHODIA CHIMIE (FR) 2004-06-08 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-20030130542-A1 Chlorination of an aniline in a hydrofluoric medium RHODIA CHIMIE (FR) 2003-07-10 US disclosed
EP-1259476-A1 CHLORINATION OF AN ANILINE IN ORTHO IN A HYDROFLUORIC MEDIUM RHODIA CHIMIE (FR) 2002-11-27 EP disclosed
WO-2001064623-A1 CHLORINATION OF AN ANILINE IN ORTHO IN A HYDROFLUORIC MEDIUM RHODIA CHIMIE (FR) 2001-09-07 WO disclosed
US-3960890-A CONTROL OF ECTOPARASITES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (9 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 KMT2A 1453/4885GAA 2113/4885SLC6A2 2962/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL KMT2A 2546/4885GAA 1144/4885SLC6A2 4464/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885GAA 4788/4885SLC6A2 3338/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KMT2A 3179/4885GAA 4849/4885SLC6A2 3616/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 KMT2A 3693/4885GAA 4486/4885SLC6A2 3759/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885GAA 4788/4885SLC6A2 3338/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KMT2A 1453/4885GAA 2113/4885SLC6A2 2962/4885
US-20030130542-A1 Chlorination of an aniline in a hydrofluoric medium PEX3, PHF13, ATL3 KMT2A 1891/4885GAA 3519/4885SLC6A2 876/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KMT2A 3461/4885GAA 4829/4885SLC6A2 3386/4885

“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.