SCHEMBL4331099

SCHEMBL4331099

Cn1ccc2c3c(ccc21)C(c1ccc(F)c(C#N)c1)C(C#N)=C(N)O3

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYB P10242 15/20 0.49
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 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
SCHEMBL4320218 0.92 MYB (0.53) MYBCYP1A2KDM4ELMNAMAPT
SCHEMBL4321669 0.89 MYB (0.51) MYBCYP1A2KDM4ELMNAMAPT
SCHEMBL4335948 0.87 MYB (0.66) MYBCYP1A2KDM4ELMNAMAPT
SCHEMBL4341245 0.86 NPC1 (0.55) MYBKDM4ELMNAMAPTMEN1
SCHEMBL4320003 0.85 MYB (0.51) MYBKDM4ELMNAMAPTMEN1
SCHEMBL4334495 0.84 MYB (0.48) MYBCYP1A2KDM4EMAPTALDH1A1
SCHEMBL4329068 0.84 MYB (0.53) MYBCYP1A2MEN1KMT2A
SCHEMBL4332182 0.83 MYB (0.46) MYBKDM4ELMNAMAPTMEN1
SCHEMBL4319987 0.83 MYB (0.61) MYBKDM4ELMNAMAPTMEN1
SCHEMBL4329071 0.83 MYB (0.54) MYBKDM4ELMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 US claimed
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 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-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 MYB 326/4885CYP1A2 244/4885KDM4E 486/4885

“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.