SCHEMBL6645378

SCHEMBL6645378

CN(C)c1cc(C(C)(C)C)ccc1C(=O)Nc1ccc(NCCc2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
KCNH2 Q12809 1/20 0.43
KCNB1 Q14721 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CNR1 P21554 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
MAPT P10636 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 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 SCHEMBL6644092 0.99 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6644249 0.92 SORT1 (0.47) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6643789 0.87 MAPT (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6647603 0.87 CTNNB1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1KCNH2
SCHEMBL6646787 0.86 CNR1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6647689 0.86 RAB9A (0.50) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6646632 0.85 RAB9A (0.47) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6647471 0.85 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6648816 0.85 RAB9A (0.59) ALDH1A1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL6643483 0.85 TAS1R3 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR ALDH1A1 2174/4885NPSR1 199/4885MEN1 3820/4885

“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.