SCHEMBL4902804

SCHEMBL4902804

O=C1C=C(NNc2ccc(F)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.50
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
P2RX7 Q99572 1/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL4024685 0.83 MT-CO2 (0.50) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL6583074 0.82 POLB (0.56) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL31696451 0.69 SMARCA2 (0.41) MT-CO2KMT2AMEN1POLBRAB9A
SCHEMBL1692082 0.69
SCHEMBL3519376 0.68 MAPK14 (0.41) ALDH1A1MAPTHSD11B1
SCHEMBL9275585 0.67 MT-CO2 (0.70) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL31696470 0.66 SMARCA2 (0.41) MT-CO2
SCHEMBL2033213 0.66 MT-CO2 (0.69) MT-CO2KMT2AMEN1ALDH1A1POLB
SCHEMBL7866531 0.65
SCHEMBL7293217 0.64 ALDH1A1 (0.57) MT-CO2KMT2AMEN1ALDH1A1POLB

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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 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 (2 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C MT-CO2 1264/4885KMT2A 3332/4885MEN1 4451/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C MT-CO2 1264/4885KMT2A 3332/4885MEN1 4451/4885

“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.