SCHEMBL12849433

SCHEMBL12849433

Cc1cnc(I)nc1N(C)CCCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.40
SLC9A5 Q14940 2/20 0.35
MAPK1 P28482 1/20 0.35
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 1/20 0.32
POLB P06746 1/20 0.32
PPARD Q03181 9/20 0.31
PPARA Q07869 9/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL1400922 0.81 NUDT1 (0.40) NUDT1SLC9A5MAPK1PDE2APDE5A
SCHEMBL21780699 0.67 NUDT1 (0.42) NUDT1MAPK1PDE4BPDE4DPDE10A
SCHEMBL1998973 0.65 SLC9A5 (0.37) SLC9A5PDE2APDE5APDE1BPDE4B
SCHEMBL4380411 0.62 MEN1 (0.35) SLC9A5MAPK1HSD17B10POLBMKNK1
SCHEMBL8597404 0.61
SCHEMBL13634391 0.59 NOS1 (0.34) MAPK1HSD17B10
SCHEMBL31243237 0.59 ALDH1A1 (0.42) HSD17B10
SCHEMBL31243236 0.59 ALDH1A1 (0.42) HSD17B10
SCHEMBL1723682 0.59 ALDH1A1 (0.42) HSD17B10
SCHEMBL2535002 0.58 EGFR (0.35) POLBMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 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-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP NUDT1 529/4885SLC9A5 2276/4885MAPK1 772/4885

“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.