SCHEMBL8446243

SCHEMBL8446243

O=C(CCc1ccc(-c2ccccc2F)s1)Nc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ DNMT3B Q9UBC3 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TRPV1 Q8NER1 2/20 0.47
▸ ESRRG P62508 2/20 0.46
▸ HTT P42858 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ SELL P14151 1/20 0.43
▸ SELP P16109 1/20 0.43
▸ SELE P16581 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL3179646 0.94 LMNA (0.49) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3173556 0.77 RPS6KB2 (0.53) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20764033 0.77 ESRRG (0.74) SMN1; SMN2NPC1RAB9AALDH1A1ESRRG
SCHEMBL3164302 0.75 RPS6KB2 (0.58) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3182183 0.74 HPGD (0.60) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21227017 0.73 TSHR (0.77) LMNAL3MBTL1SMN1; SMN2RAB9ADNMT3B
SCHEMBL30920079 0.73 TSHR (0.77) LMNAL3MBTL1SMN1; SMN2RAB9ADNMT3B
SCHEMBL3179651 0.70 ACKR3 (0.35) TRPV1ESRRG
SCHEMBL2203781 0.70 LMNA (1.00) LMNAL3MBTL1RAB9AHTTMAPK1
SCHEMBL3164138 0.69 NPC1 (0.48) NPC1RAB9AALDH1A1MEN1KMT2A

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 LMNA 2141/4885L3MBTL1 4350/4885SMN1; SMN2 4713/4885

“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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