SCHEMBL754935

SCHEMBL754935

CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
PKM P14618 1/20 0.53
APOBEC3A P31941 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.52
YAP1 P46937 1/20 0.51
TEAD4 Q15561 1/20 0.51
TEAD2 Q15562 1/20 0.51
HRH2 P25021 2/20 0.51
HRH1 P35367 2/20 0.51

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
SCHEMBL751732 0.88 LMNA (0.65) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL751828 0.86 ALDH1A1 (0.66) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL751728 0.85 ALDH1A1 (0.67) KMT2AALDH1A1SMN1; SMN2MEN1PKM
SCHEMBL7895851 0.83 L3MBTL1 (0.66) KMT2AALDH1A1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL752323 0.82 LMNA (0.72) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL751716 0.82 LMNA (0.72) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL735124 0.81 LMNA (0.66) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL752734 0.79 L3MBTL1 (0.65) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL7073997 0.79 F10 (0.61) KMT2AHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL751874 0.78 POLB (0.60) KMT2AALDH1A1MEN1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
WO-2016034742-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-10 WO disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 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-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR KMT2A 531/4885HPGD 1975/4885ALDH1A1 655/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR KMT2A 531/4885HPGD 1975/4885ALDH1A1 655/4885

“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.