SCHEMBL5640541

SCHEMBL5640541

CC(C)CCC/C(N)=C\C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
BLM P54132 1/20 0.38
PTPN1 P18031 2/20 0.36
CA1 P00915 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34

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
SCHEMBL5640545 1.00 KDM1A (0.53) KDM1ABLMPTPN1CA1KDM4C
SCHEMBL5640537 1.00 KDM1A (0.53) KDM1ABLMPTPN1CA1KDM4C
SCHEMBL7431020 0.80
SCHEMBL5078045 0.78 TSHR (0.41) BLMPTPN1
SCHEMBL10668146 0.78 KDM1A (0.80) KDM1ABLMPTPN1CA1KDM4C
SCHEMBL10668144 0.78 KDM1A (0.80) KDM1ABLMPTPN1CA1KDM4C
SCHEMBL7148020 0.77 CES1 (0.44) PTPN1CA1
SCHEMBL7148017 0.77 CES1 (0.44) PTPN1CA1
SCHEMBL7148023 0.77 CES1 (0.44) PTPN1CA1
SCHEMBL11741773 0.76 KDM1A (0.53) KDM1ABLMPTPN1CA1KDM4C

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-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB KDM1A 4842/4885BLM 519/4885PTPN1 4707/4885

“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.