SCHEMBL6289119

SCHEMBL6289119

CCN1CCN(c2nc(C=Cc3ccc(S(C)(=O)=O)cc3)cc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.42
FLT3 P36888 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GBA1 P04062 2/20 0.38
CYP2D6 P10635 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6289118 1.00 KDM2B (0.42) KDM2BFLT3SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4793465 0.99 KDM2B (0.41) KDM2BFLT3SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL4793469 0.99 KDM2B (0.41) KDM2BFLT3SMN1; SMN2LMNAMAPT
Oxalic Acid SCHEMBL7669140 0.95 FLT3 (0.40) KDM2BFLT3SMN1; SMN2LMNAMAPT
Oxalic Acid SCHEMBL7669148 0.95 FLT3 (0.40) KDM2BFLT3SMN1; SMN2LMNAMAPT
SCHEMBL6292030 0.88 SMN1; SMN2 (0.38) KDM2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4770263 0.88 SMN1; SMN2 (0.38) KDM2BSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL4774314 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL4774312 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTKMT2ACYP1A2
SCHEMBL14102868 0.86 KMT2A (0.50) SMN1; SMN2LMNAMAPTKMT2ACYP1A2

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-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KDM2B 501/4885FLT3 4671/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM2B 436/4885FLT3 4627/4885SMN1; SMN2 37/4885

“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.