SCHEMBL6134818

SCHEMBL6134818

O=C(O)c1ccc(-c2nnc(-c3ccc(N4CCN(Cc5ccncc5)CC4)cc3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TSHR P16473 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
LSS P48449 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHEK1 O14757 2/20 0.45
BCL2L1 Q07817 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44

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
SCHEMBL4579770 0.89 POLB (0.61) POLBHTR2AHTR2CHTR2BTSHR
SCHEMBL6134745 0.87 CHKA (0.50) POLBTSHRLSSHDAC6MAPT
SCHEMBL5632521 0.84 POLB (0.54) POLBHTR2AHTR2CHTR2BITGB3
SCHEMBL15853641 0.81 LSS (0.64) POLBTSHRLSSMAPK1SMN1; SMN2
SCHEMBL7340640 0.79 CSNK2A2 (0.54) TSHRHDAC6MAPTMAPK1SMN1; SMN2
SCHEMBL6373109 0.79 NPC1 (0.58) TSHRMAPTCHEK1ALDH1A1CSNK2A2
SCHEMBL6235038 0.79 CSNK2A2 (0.46) HTR2AHTR2CHTR2BTSHRCHEK1
SCHEMBL6134965 0.79 NPC1 (0.47) POLBHTR2AHTR2CHTR2BTSHR
SCHEMBL6700832 0.78 POLB (0.60) POLBHTR2AHTR2CHTR2BITGB3
SCHEMBL6132526 0.78 CSNK2A2 (0.45) HTR2AHTR2CHTR2BTSHRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 POLB 1754/4885HTR2A 4868/4885HTR2C 4856/4885

“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.