SCHEMBL5943493

SCHEMBL5943493

c1ccc2nc(NCCCNCc3c[nH]c4ccccc34)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 5/20 0.56
MC5R P33032 4/20 0.53
MC3R P41968 3/20 0.53
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
SLC2A1 P11166 1/20 0.47
RAD52 P43351 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNT1 Q5JUK3 1/20 0.46
USP2 O75604 2/20 0.44
LMNA P02545 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44

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
SCHEMBL6619967 0.81 MC1R (0.50) MC1RMC5RMC3RBCHEACHE
SCHEMBL5943511 0.77 CA1 (0.42) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL5943486 0.76 NCF1 (0.59) KMT2APOLBNPC1TP53RAB9A
SCHEMBL5943504 0.76 NPC1 (0.51) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL5943461 0.76 NPC1 (0.43) KMT2ANPC1TP53RAB9ASMN1; SMN2
SCHEMBL5943519 0.75 MCHR1 (0.59) MC1RBCHEACHEKMT2AMEN1
SCHEMBL6618405 0.73 KMT2A (0.37) BCHEACHEKMT2AMEN1POLB
SCHEMBL9308731 0.73 MC1R (0.73) MC1RMC5RMC3RBCHEACHE
SCHEMBL5943554 0.73 MC5R (0.57) MC1RMC5RMC3RBCHEACHE
SCHEMBL1520322 0.72 MC1R (0.88) MC1RMC5RMC3RKMT2AMEN1

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-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 MC1R 18/4885MC5R 12/4885MC3R 3/4885

“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.