SCHEMBL9944872

SCHEMBL9944872

CCNc1cc(N2CCC(F)(F)CC2)c(C(=O)OCC)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 9/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
DCTPP1 Q9H773 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9944868 0.91 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9944772 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9944876 0.85 GPR174 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9944873 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPTKMT2A
SCHEMBL9946572 0.78 MAPT (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9944758 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9944864 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL23044841 0.76 MAPT (0.49) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9944869 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHPGDL3MBTL1KDM4E
SCHEMBL9944759 0.76 GPR174 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885SMN1; SMN2 4246/4885LMNA 1817/4885

“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.