SCHEMBL3485014

SCHEMBL3485014

O=C1Cc2c(Oc3ccc([N+](=O)[O-])cc3Cl)cccc2N1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 3/20 0.40
PDE7A Q13946 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP2C9 P11712 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3484479 0.84 HTR6 (0.36) ALDH1A1MAPTLMNANPC1CYP3A4
SCHEMBL3484058 0.81 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3483694 0.74 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3485170 0.72 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5113994 0.71 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3483928 0.70 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11511746 0.70 PDE7A (0.71) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3484671 0.70 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30098850 0.69 HPGD (0.63) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22069578 0.69 HPGD (0.63) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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 2063/4885ALDH1A1 2591/4885

“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.