SCHEMBL3483986

SCHEMBL3483986

COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1CBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
MAPT P10636 9/20 0.48
LMNA P02545 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 6/20 0.48
THRB P10828 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL3485203 0.85 MEN1 (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL27790262 0.85 MEN1 (0.52) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL3483961 0.80 TDP1 (0.59) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL10786891 0.78 TDP1 (0.50) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL3484189 0.76 TDP1 (0.64) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL10788663 0.76 MAPT (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL4697145 0.75 KMT2A (0.54) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL3505843 0.75 ALDH1A1 (0.70) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL10789320 0.74 TDP1 (0.81) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL222270 0.74 TDP1 (0.67) KMT2AMEN1MAPTSMN1; SMN2GAA

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 2063/4885MAPT 4025/4885

“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.