SCHEMBL4500580

SCHEMBL4500580

Cc1ccccc1S(=O)(=O)O.c1ccc2[nH]c(SCCN3CCNCC3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
SOAT1 P35610 5/20 0.49
TSHR P16473 2/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BCHE P06276 1/20 0.45
AR P10275 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2C Q14957 1/20 0.44
CYP1A2 P05177 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
SCHEMBL4500584 0.87 RAB9A (0.56) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL1704979 0.84 RAB9A (0.74) RAB9AGRIN2AGRIN2BSOAT1TSHR
Hydrochloric Acid SCHEMBL1704951 0.83 RAB9A (0.73) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL4508692 0.80 RAB9A (0.65) RAB9AGRIN2AGRIN2BSOAT1TSHR
Trifluoroacetic Acid SCHEMBL6282185 0.79 RAB9A (0.60) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL9514091 0.75 RAB9A (0.74) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL9512664 0.75 RAB9A (0.78) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL13617010 0.74 RAB9A (0.73) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL9513272 0.74 RAB9A (0.76) RAB9AGRIN2AGRIN2BSOAT1TSHR
SCHEMBL8915135 0.72 RAB9A (0.54) RAB9AGRIN2AGRIN2BSOAT1BCHE

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-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 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 (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-20080045714-A1 Method for Producing Cyclic Diamine Derivative SAT1, ACAT2, NAT1 RAB9A 2669/4885GRIN2A 3863/4885GRIN2B 3260/4885

“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.