SCHEMBL5943483

SCHEMBL5943483

c1ccc(CCNCCCNc2ccc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KMT2A Q03164 1/20 0.44
NCF1 P14598 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIM1 P11309 1/20 0.43

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
SCHEMBL5943486 0.84 NCF1 (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9850350 0.80 NCF1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5943501 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NCF1KDM4E
SCHEMBL5943549 0.79 GRIN1 (0.51) NPC1RAB9ASMN1; SMN2NCF1KDM4E
SCHEMBL5943504 0.78 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KMT2ANCF1
SCHEMBL5943554 0.78 MC5R (0.57) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL5943479 0.77 NCF1 (0.59) NPC1RAB9ASMN1; SMN2NCF1KDM4E
SCHEMBL5943471 0.76 USP30 (0.48) NPC1RAB9ASMN1; SMN2KMT2ANCF1
SCHEMBL8358537 0.76 KMT2A (0.59) SIGMAR1KMT2A
SCHEMBL9768701 0.76 SIGMAR1 (0.86) SIGMAR1

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-20060247439-A1 Mchir antagonists ASTRAZENECA AB (SE) 2006-11-02 US claimed
US-20060247439-A1 Mchir antagonists ASTRAZENECA AB (SE) 2006-11-02 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-20060247439-A1 Mchir antagonists MCHR1, HCRTR1, MC3R SIGMAR1 52/4885NPC1 193/4885RAB9A 925/4885

“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.