SCHEMBL5402430

SCHEMBL5402430

c1[nH]c2c(c1CCCN1CCOCC1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
DRD2 P14416 2/20 0.40
HTR1A P08908 3/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MPO P05164 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KEAP1 Q14145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TACR2 P21452 1/20 0.36

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
SCHEMBL5414463 0.88 MPO (0.47) HTR1DHTR1BSIGMAR1DRD2HTR1A
SCHEMBL5396500 0.84 MAPT (0.49) HTR1DHTR1BSIGMAR1DRD2HTR1A
SCHEMBL6613728 0.84 SIGMAR1 (0.44) HTR1DHTR1BSIGMAR1DRD2HTR1A
SCHEMBL6601965 0.82 SPHK1 (0.40) HTR1DHTR1BDRD2HTR1AMPO
SCHEMBL7959526 0.81 MPO (0.55) HTR1DHTR1BSIGMAR1DRD2HTR1A
SCHEMBL5403295 0.80 HTR1D (0.40) HTR1DHTR1BSIGMAR1POLBHTR1A
SCHEMBL7961169 0.79 MAPT (0.45) HTR1DHTR1BDRD2HTR1AMPO
SCHEMBL7961060 0.79 HTR1A (0.54) HTR1DHTR1BSIGMAR1DRD2HTR1A
SCHEMBL7960011 0.79 SIGMAR1 (0.52) HTR1DHTR1BSIGMAR1KDM4EDRD2
SCHEMBL5405308 0.75 FKBP1A (0.47) KDM4ETSHRKMT2AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 HTR1D 1735/4885HTR1B 1422/4885SIGMAR1 3236/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM HTR1D 2012/4885HTR1B 3035/4885SIGMAR1 3009/4885

“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.