SCHEMBL2902645

SCHEMBL2902645

COc1ccc([N+](=O)[O-])c(F)c1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.46
PDE4A P27815 8/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL30949230 0.81 ALDH1A1 (0.50) ALDH1A1LMNATUBB4ATUBBTUBA3C
SCHEMBL1766182 0.81 ALDH1A1 (0.50) ALDH1A1LMNATUBB4ATUBBTUBA3C
SCHEMBL4367865 0.81 ALDH1A1 (0.53) PDE5AALDH1A1LMNATDP1L3MBTL1
SCHEMBL34472131 0.76 TDP1 (0.38) PDE5AALDH1A1LMNATDP1KMT2A
SCHEMBL2909998 0.76 PDE4A (0.45) PDE4AKMT2APDE4BPDE4DPDE4C
SCHEMBL26087309 0.75 ALDH1A1 (0.51) PDE5AALDH1A1LMNATDP1TXNRD1
SCHEMBL30140358 0.75 PDE5A (0.38) PDE5AALDH1A1TDP1TXNRD1KMT2A
SCHEMBL626589 0.74 ALDH1A1 (0.53) ALDH1A1LMNATUBB4ATUBBTUBA3C
SCHEMBL29524625 0.74 ALDH1A1 (0.53) ALDH1A1LMNATUBB4ATUBBTUBA3C
SCHEMBL31009389 0.74 PDE5A (0.49) PDE5AALDH1A1LMNATUBB4ATUBB

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
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B PDE5A 7/4885PDE4A 1/4885ALDH1A1 300/4885

“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.