SCHEMBL3595097

SCHEMBL3595097

O=[N+]([O-])c1ccc2c(C(O)(CNCCc3ccccc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KAT2B Q92831 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ASAH1 Q13510 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
SCHEMBL13254121 0.92 KMT2A (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13254113 0.92 F2RL3 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3603384 0.92 L3MBTL1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13254112 0.90 PDE4A (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3583209 0.90 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13254123 0.90 POLB (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3591505 0.89 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL3597422 0.89 POLB (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3599385 0.89 NPC1 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3594473 0.89 DRD2 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 KMT2A 4721/4885MEN1 3628/4885ALDH1A1 4118/4885

“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.