SCHEMBL3484977

SCHEMBL3484977

CC1(C)NC(=O)c2c(Oc3ccc([N+](=O)[O-])cc3Cl)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
PDE7A Q13946 1/20 0.45
MAPT P10636 8/20 0.45
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 8/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR55 Q9Y2T6 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
SCHEMBL3484789 0.82 PDE7A (0.34) KMT2AMEN1PDE7AHPGDALDH1A1
SCHEMBL3484779 0.82 KMT2A (0.50) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL3484209 0.77 PDE7A (0.54) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL3485185 0.76 KMT2A (0.54) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL11511746 0.75 PDE7A (0.71) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL30098850 0.74 HPGD (0.63) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL22069578 0.74 HPGD (0.63) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL27768921 0.74 KMT2A (0.47) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL22069554 0.73 KMT2A (0.62) KMT2AMEN1PDE7AMAPTLMNA
SCHEMBL3484318 0.73 KMT2A (0.53) KMT2AMEN1PDE7AMAPTLMNA

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 KMT2A 300/4885MEN1 2063/4885PDE7A 4340/4885

“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.