SCHEMBL2749560

SCHEMBL2749560

O=C(NCc1ccc(O)cc1)c1cccnc1SCCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ HPGD P15428 1/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ ALDH1A1 P00352 2/20 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
SCHEMBL2750048 0.96 KMT2A (0.59) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2750547 0.93 KMT2A (0.58) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2750239 0.92 KMT2A (0.55) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2750086 0.90 KMT2A (0.48) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2749989 0.90 KMT2A (0.52) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2750140 0.89 KMT2A (0.52) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2750174 0.88 ALDH1A1 (0.59) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2751771 0.88 KMT2A (0.50) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2748923 0.88 KMT2A (0.50) KMT2AHPGDCYP1A2CYP2C19CYP3A4
SCHEMBL2750179 0.88 ALDH1A1 (0.56) KMT2AHPGDCYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406226-B1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-09-16 — — EP claimed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 — — US claimed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 — — US claimed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 — — US claimed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — US claimed
US-8586755-B2 Substituted nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2013-11-19 — — US disclosed
US-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-07-19 — — US disclosed
US-8178684-B2 Substituted nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2012-05-15 — — US disclosed
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — 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 (2 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-20120184550-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KMT2A 254/4885HPGD 651/4885CYP1A2 1536/4885
US-20100234429-A1 SUBSTITUTED NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KMT2A 422/4885HPGD 508/4885CYP1A2 1843/4885

“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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