SCHEMBL6809534

SCHEMBL6809534

Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3CCc2ccccn2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 1/20 0.43
MTTP P55157 4/20 0.43
APOB P04114 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
ADRA2B P18089 1/20 0.42
POLB P06746 1/20 0.42
NR3C1 P04150 1/20 0.41
S1PR1 P21453 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
Hydrochloric Acid SCHEMBL6806268 0.91 SMO (0.56) SMONPC1RAB9AHDAC1HDAC8
SCHEMBL6801109 0.87 SMO (0.47) SMOMTTPAPOBNR3C1S1PR1
SCHEMBL6805320 0.87 SMO (0.55) SMONPC1RAB9AMTTPAPOB
Hydrochloric Acid SCHEMBL6668967 0.85 HDAC1 (0.46) SMONPC1RAB9AHDAC1HDAC8
SCHEMBL6666202 0.84 S1PR1 (0.47) NPC1RAB9AHDAC1HDAC8KMT2A
SCHEMBL6808490 0.83 SMO (0.58) SMOMTTPAPOBNR3C1
SCHEMBL6488178 0.82 SMO (0.52) SMOMTTPAPOBNR3C1
SCHEMBL6809381 0.81 SMO (0.47) SMOMTTPAPOBKDM4ENR3C1
SCHEMBL6667324 0.81 SMO (0.45) SMONPC1RAB9AHDAC1HDAC8
SCHEMBL6502553 0.81 SMO (0.51) SMOMTTPAPOBNR3C1

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-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 SMO 4390/4885NPC1 40/4885RAB9A 4004/4885

“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.