SCHEMBL4178510

SCHEMBL4178510

O=S(=O)(CCCl)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.40
NFE2L2 Q16236 7/20 0.39
GBA1 P04062 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KAT6A Q92794 2/20 0.37
AKR1B1 P15121 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27519656 0.78 CA2 (0.41) KCNA5NFE2L2GBA1KMT2ATDP1
SCHEMBL1272695 0.77 CA2 (0.58) KCNA5GBA1KMT2AKAT6ACA2
SCHEMBL4175553 0.77 CA2 (0.45) AKR1B1CA2
SCHEMBL777982 0.77 PSIP1 (0.48) KCNA5GBA1KMT2ATDP1KAT6A
SCHEMBL9337554 0.76 GAA (0.54) KMT2ACA2
SCHEMBL14495116 0.76 KEAP1 (0.51) NFE2L2KMT2ATDP1LMNAL3MBTL1
SCHEMBL1148926 0.76 MEN1 (0.49) KMT2AKAT6A
SCHEMBL9704703 0.75 KCNA5 (0.42) KCNA5NFE2L2GBA1KMT2ATDP1
SCHEMBL25413517 0.75 APEX1 (0.58) KMT2ATDP1CA2LMNAL3MBTL1
SCHEMBL25426560 0.74 KMT2A (0.59) KMT2ACA2LMNA

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-8084470-B2 Substituted nicotinamide compounds and uses thereof GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
US-5716936-A Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders RHONE-POULENC RORER S.A. (FR) 1998-02-10 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-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF NNT, NAMPT, NADK KCNA5 465/4885NFE2L2 1334/4885GBA1 1197/4885

“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.