SCHEMBL6898679

SCHEMBL6898679

OCCCCCCCCCCCCNO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
KCNH3 Q9ULD8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL5333641 1.00
SCHEMBL7060166 1.00
SCHEMBL22973178 1.00 CA1 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL27771903 1.00 CA1 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL7095523 1.00 CA1 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL7099996 1.00 CA1 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL7095924 1.00 CA1 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL2923255 0.97
Hydrochloric Acid SCHEMBL2922312 0.93
SCHEMBL3676628 0.86

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-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 US claimed
US-6455589-B1 AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-24 US claimed
US-20040038980-A1 Imidazo-heterobicycles as factor xa inhibitors LAM PATRICK Y (US) 2004-02-26 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-20040038980-A1 Imidazo-heterobicycles as factor xa inhibitors SERPINC1, SPINT2, TFPI CA1 396/4885CA2 402/4885CA12 965/4885

“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.