SCHEMBL12227656

SCHEMBL12227656

C=C(SCCCSC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
GPR139 Q6DWJ6 1/20 0.39
GSK3B P49841 2/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 3/20 0.36
CES1 P23141 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 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
SCHEMBL7909243 0.89 KMT2A (0.49) KMT2AGPR139GSK3BPTPN1MAPT
SCHEMBL31131464 0.85 KMT2A (0.49) KMT2AGPR139GSK3BPTPN1MAPT
SCHEMBL12227655 0.84 PTPN1 (0.40) KMT2APTPN1MAPTTDP1L3MBTL1
SCHEMBL15403210 0.81 KMT2A (0.44) KMT2AGPR139GSK3BPTPN1MAPT
SCHEMBL16047247 0.80 KMT2A (0.52) KMT2AGPR139GSK3BPTPN1MAPT
SCHEMBL18257681 0.79 KMT2A (0.45) KMT2AGPR139GSK3BPTPN1MAPT
SCHEMBL19391886 0.78 ALDH1A1 (0.49) KMT2AMAPTALDH1A1CES1MEN1
SCHEMBL20565315 0.78 KMT2A (0.44) KMT2AGPR139GSK3BPTPN1MAPT
SCHEMBL6057163 0.78 ALDH1A1 (0.57) KMT2AGPR139MAPTLMNAALDH1A1
SCHEMBL8308737 0.78 ALDH1A1 (0.56) KMT2AGSK3BPTPN1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders CARMEL BIOSCIENCES, INC. 2011-10-20 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-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders REN, ACE, AGT KMT2A 3405/4885GPR139 4754/4885GSK3B 4219/4885

“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.