SCHEMBL4401291

SCHEMBL4401291

COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccc(N4CCCC4CO)nc32)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCC4 O15439 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
BTK Q06187 1/20 0.37
AADAT Q8N5Z0 1/20 0.37

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
SCHEMBL4401298 1.00 KMT2A (0.41) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4405985 1.00 KMT2A (0.41) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4409388 0.98 CNR1 (0.40) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4409384 0.98 CNR1 (0.40) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4400068 0.95 ALDH1A1 (0.41) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4400078 0.95 ALDH1A1 (0.41) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4397302 0.91 TSHR (0.44) KMT2AALDH1A1TSHRKDM4EMAPK1
SCHEMBL4397300 0.91 TSHR (0.44) KMT2AALDH1A1TSHRKDM4EMAPK1
SCHEMBL4401025 0.91 TSHR (0.44) KMT2AALDH1A1TSHRKDM4EMAPK1
SCHEMBL4404009 0.89 GNRHR (0.42) ALDH1A1TSHRKDM4EMAPK1CNR1

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-7632946-B2 Naphthyridine-based antibacterial compositions ABBOTT LABORATORIES (US) 2009-12-15 US disclosed
US-20070088040-A1 Antibacterial compounds ABBVIE INC. 2007-04-19 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-20070088040-A1 Antibacterial compounds MRPL21, FDPS, PGLS KMT2A 4523/4885ALDH1A1 2936/4885TSHR 4543/4885

“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.