SCHEMBL7737795

SCHEMBL7737795

COc1c(F)ccc([N+](=O)[O-])c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
KMT2A Q03164 1/20 0.43
VCAM1 P19320 1/20 0.42
HSPB1 P04792 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 2/20 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

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
SCHEMBL31487706 0.87 TDP1 (0.44) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL11901576 0.87 TDP1 (0.44) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL521184 0.87 TDP1 (0.44) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL31150399 0.87 TDP1 (0.44) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL28047042 0.85 TDP1 (0.47) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL22587614 0.84 TDP1 (0.42) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL20567538 0.84 TDP1 (0.42) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL19181006 0.84 TDP1 (0.47) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL34472553 0.84 TDP1 (0.47) TDP1ATMALDH1A1HIF1AKMT2A
SCHEMBL589644 0.83 TDP1 (0.52) TDP1ATMALDH1A1KMT2AHSPB1

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-6414001-B2 Ether and amide compounds preparation thereof composition containing same and use thereof as antidiadetics KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2002-07-02 US disclosed
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2001-07-19 US disclosed
WO-1998024740-A1 FLUORINATION OF CARBONYL-SUBSTITUTED AROMATIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 1998-06-11 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-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. SLC5A2, GCG, NCEH1 TDP1 3190/4885ATM 4778/4885ALDH1A1 3812/4885

“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.