SCHEMBL25415696

SCHEMBL25415696

CN(C)Cc1ccccc1CNc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 6/20 0.48
HSD17B10 Q99714 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
LTA4H P09960 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HTR2C P28335 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP2C19 P33261 3/20 0.40
ALOX15 P16050 2/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HPGD P15428 1/20 0.40
NOTUM Q6P988 2/20 0.40
SCN1A P35498 1/20 0.40

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
SCHEMBL30520324 1.00 RAB9A (0.51) RAB9ACYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL30520309 0.76 KDM4E (0.59) RAB9ACYP2D6LTA4HKDM4EHTR2C
SCHEMBL3254598 0.76 KDM4E (0.59) RAB9ACYP2D6LTA4HKDM4EHTR2C
SCHEMBL19198136 0.76 KMT2A (0.54) RAB9ACYP1A2CYP3A4CYP2D6LTA4H
SCHEMBL11060955 0.76 LTA4H (0.51) RAB9ALTA4HKDM4EHTR2CGSK3B
SCHEMBL22236175 0.76 ALDH1A1 (0.43) HSD17B10TDP1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19198153 0.74 ALDH1A1 (0.64) RAB9ALTA4HKDM4EHTR2CGSK3B
SCHEMBL19197793 0.74 KDM4C (0.61) RAB9ACYP1A2CYP3A4CYP2D6LTA4H
SCHEMBL3210499 0.72 CHRNA7 (0.51) RAB9ALTA4HCHRNB2CHRNA4SMN1; SMN2
SCHEMBL13926774 0.72 KDM4E (0.62) RAB9ATDP1LTA4HKDM4EHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2023-09-14 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 (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-20230286917-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A RAB9A 3032/4885CYP1A2 1445/4885CYP3A4 2630/4885

“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.