SCHEMBL4844540

SCHEMBL4844540

CCN(c1nc2cc(Cl)ccc2[nH]1)c1ncnc2cc(C(=O)N3CCC(C(N)=O)CC3)c(Cl)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
AHR P35869 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRD9 Q9H8M2 2/20 0.35
EPHX2 P34913 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GRM4 Q14833 1/20 0.34
CHEK1 O14757 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FPR2 P25090 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL4839125 0.88 LMNA (0.40) KMT2AGAAMEN1KDM4ETSHR
SCHEMBL4841544 0.81 HRH4 (0.35) KMT2AMEN1RAB9AATMKDM4E
SCHEMBL4148485 0.80 HRH4 (0.41) KDM4ETSHRHSD17B10GSK3B
SCHEMBL4844553 0.78 GAA (0.42) KMT2AGAAALOX12SMN1; SMN2MEN1
SCHEMBL4146431 0.78 AHR (0.38) KMT2AGAAALOX12SMN1; SMN2MEN1
SCHEMBL4841532 0.77 BACE1 (0.35) KMT2AMEN1GSK3B
SCHEMBL4841867 0.77 ABL1 (0.34) KMT2AALDH1A1GSK3B
SCHEMBL4841860 0.76 HRH4 (0.32) GSK3B
SCHEMBL4848519 0.72 TAAR1 (0.32)
SCHEMBL8324092 0.70 CNR1 (0.36)

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-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 KMT2A 4720/4885GAA 2024/4885ALOX12 1110/4885

“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.