SCHEMBL8459487

SCHEMBL8459487

O=C(CNc1nc(-c2ccc(F)cc2)cs1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ MAOA P21397 3/20 0.51
▸ MAOB P27338 3/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ LMNA P02545 5/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SLC12A2 P55011 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
SCHEMBL3179153 0.99 KMT2A (0.52) HPGDGAAKMT2AMAOAMAOB
SCHEMBL8452347 0.96 KMT2A (0.52) HPGDGAAKMT2AMAOAMAOB
Trifluoroacetic Acid SCHEMBL3173811 0.94 GAA (0.47) HPGDGAAKMT2AMAOAMAOB
Trifluoroacetic Acid SCHEMBL3171698 0.92 MMP2 (0.47) HPGDGAAKMT2AMAOAMAOB
Trifluoroacetic Acid SCHEMBL3179280 0.90 MMP2 (0.47) HPGDGAAKMT2AMAOAMAOB
SCHEMBL6828220 0.89 KMT2A (0.47) HPGDGAAKMT2AMAOAMAOB
SCHEMBL7988045 0.86 RAB9A (0.62) HPGDGAAKMT2AMEN1ALDH1A1
SCHEMBL9370971 0.82 LMNA (0.61) KMT2AMAOAMAOBMEN1RAB9A
SCHEMBL4590880 0.79 KMT2A (0.59) GAAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL4742174 0.79 KMT2A (0.59) GAAKMT2AMEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 — — US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 — — EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 HPGD 162/4885GAA 1632/4885KMT2A 1573/4885

“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.

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