SCHEMBL4401556

SCHEMBL4401556

FC(F)(F)c1cccc(C2NCCn3cccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
HTR1A P08908 2/20 0.48
HTR2C P28335 5/20 0.47
ADRA2C P18825 1/20 0.43
TP53 P04637 1/20 0.43
KDM1A O60341 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR1D P28221 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 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
SCHEMBL28307154 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL1266843 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL2753842 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL3955315 0.79 ADRA2C (0.56) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL1266973 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1267099 0.79 KDM4E (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1267159 0.78 KDM4E (1.00) ALDH1A1KDM4EMAPTGAAADRA2C
SCHEMBL3953566 0.77 ADRA2C (0.64) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL1266344 0.76 KDM4E (0.62) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1267150 0.74 MAPT (0.78) ALDH1A1KDM4EMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 3693/4885KDM4E 3293/4885MEN1 1412/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A ALDH1A1 1731/4885KDM4E 2117/4885MEN1 2382/4885

“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.