SCHEMBL30520150

SCHEMBL30520150

c1ccc(-c2ccc(CNc3cccnc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.69
LTA4H P09960 1/20 0.65
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KDM4C Q9H3R0 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
NAMPT P43490 1/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 2/20 0.51
PDE4B Q07343 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL19198714 1.00 RAB9A (0.69) RAB9ALTA4HHDAC1HDAC8HDAC6
SCHEMBL4805011 0.90 LTA4H (0.79) RAB9ALTA4HCYP1A2CYP3A4CYP2C19
SCHEMBL10054992 0.89 RAB9A (0.83) RAB9ALTA4HHDAC1HDAC8HDAC6
SCHEMBL19198137 0.83 RAB9A (0.63) RAB9ALTA4HKDM4CLMNANPC1
SCHEMBL30520217 0.83 RAB9A (0.63) RAB9ALTA4HKDM4CLMNANPC1
SCHEMBL4024922 0.82 MAPKAPK2 (0.61) RAB9ALTA4HKDM4CKDM5BLMNA
SCHEMBL9798992 0.82 FFAR1 (0.68) RAB9AHDAC1CYP1A2CYP3A4CYP2C19
SCHEMBL10559761 0.81 RAB9A (0.71) RAB9ALTA4HHDAC1HDAC8HDAC6
SCHEMBL7246616 0.81 RAB9A (0.71) RAB9ALTA4HHDAC1HDAC8HDAC6
SCHEMBL19198628 0.81 RAB9A (1.00) RAB9ALTA4HHDAC1HDAC8HDAC6

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 3032/4885LTA4H 2790/4885HDAC1 34/4885

“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.