SCHEMBL4197899

SCHEMBL4197899

O=C(C=Cc1n[nH]c2ccccc12)NCCc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
GAA P10253 2/20 0.64
GALR3 O60755 1/20 0.57
MAPT P10636 1/20 0.57
NLRP3 Q96P20 1/20 0.57
TAAR1 Q96RJ0 1/20 0.52
HAT1 O14929 1/20 0.52
EP300 Q09472 1/20 0.52
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
MMP1 P03956 1/20 0.47
POLB P06746 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
RECQL P46063 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
SCHEMBL4197895 1.00 RAB9A (0.64) RAB9AKMT2AMEN1GAAGALR3
SCHEMBL4197357 0.80 MMP1 (0.57) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4197352 0.80 MMP1 (0.57) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4205649 0.75 KDM4E (0.53) KMT2AMEN1GAAMAPTNPC1
SCHEMBL4205645 0.75 KDM4E (0.53) KMT2AMEN1GAAMAPTNPC1
SCHEMBL4198460 0.75 NTRK1 (0.46) RAB9AKMT2AMEN1GAAGALR3
SCHEMBL4198467 0.75 NTRK1 (0.46) RAB9AKMT2AMEN1GAAGALR3
SCHEMBL4667782 0.74 SMN1; SMN2 (0.52) KMT2AMEN1GAASMN1; SMN2HPGD
SCHEMBL4667777 0.74 SMN1; SMN2 (0.52) KMT2AMEN1GAASMN1; SMN2HPGD
SCHEMBL7372285 0.74 MAPT (0.86) KMT2AMEN1MAPTNLRP3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US claimed
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (1 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-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 RAB9A 3477/4885KMT2A 2271/4885MEN1 864/4885

“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.