SCHEMBL7048580

SCHEMBL7048580

CC(=O)Nc1cc(N2CCCN(C(=O)O)CC2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.58
POLB P06746 3/20 0.45
CYP3A4 P08684 1/20 0.45
RORC P51449 3/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6741295 0.89 HTR6 (0.53) HTR6POLBCYP3A4RORCLMNA
SCHEMBL6743416 0.89 HTR6 (0.58) HTR6POLBCYP3A4RORCKMT2A
SCHEMBL6745742 0.86 HTR6 (0.61) HTR6POLBCYP3A4KMT2A
SCHEMBL6744457 0.86 HTR6 (0.76) HTR6POLBCYP3A4RORCMAPT
SCHEMBL7172960 0.84 HTR6 (0.53) HTR6POLBCYP3A4ALDH1A1
SCHEMBL3128669 0.84 HTR6 (0.79) HTR6
SCHEMBL7044429 0.84 HTR6 (0.51) HTR6POLBRORCLMNATDP1
SCHEMBL6747464 0.84 HTR6 (0.79) HTR6
Hydrochloric Acid SCHEMBL6833514 0.83 HTR6 (0.78) HTR6
SCHEMBL6742375 0.83 HTR6 (0.76) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA HTR6 221/4885POLB 4200/4885CYP3A4 2088/4885

“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.