SCHEMBL16429034

SCHEMBL16429034

CCN(c1ccccc1-c1ccccc1O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL6882864 0.88 KMT2A (0.43) IDO1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL16429035 0.79 IDO1 (0.43) IDO1L3MBTL1
SCHEMBL10473352 0.76 LMNA (0.51) IDO1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL6881619 0.76 TRPV1 (0.40) ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL6884492 0.73 BCHE (0.43) KMT2AL3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL6855933 0.72 L3MBTL1 (0.41) IDO1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL27503928 0.72 NPSR1 (0.44) IDO1KMT2AL3MBTL1LMNA
SCHEMBL9781489 0.71 THRA (0.40) BCHE
SCHEMBL26191458 0.71 KMT2A (0.39) KMT2AALDH1A1KDM4ELMNACYP1A2
SCHEMBL11691432 0.71 L3MBTL1 (0.46) KMT2AL3MBTL1ALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 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 (3 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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 IDO1 3089/4885KMT2A 1958/4885L3MBTL1 3564/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 IDO1 3089/4885KMT2A 1958/4885L3MBTL1 3564/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 IDO1 3089/4885KMT2A 1958/4885L3MBTL1 3564/4885

“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.