SCHEMBL4941414

SCHEMBL4941414

CCCCNO.CCCNO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
EPHX1 P07099 6/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ACHE P22303 1/20 0.36
MMP2 P08253 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 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
SCHEMBL245934 0.94
Water SCHEMBL27261424 0.90
Ethane SCHEMBL3206765 0.90
Butane SCHEMBL3800696 0.90 TSHR (0.45) TSHREPHX1ALOX15ALDH1A1CA1
Hydrochloric Acid SCHEMBL534514 0.90
SCHEMBL94076 0.87
Benzene SCHEMBL5799578 0.85 ALOX15 (0.42) TSHREPHX1ALOX15ALDH1A1CA1
Alcohol SCHEMBL28844459 0.85 TSHR (0.41) TSHREPHX1ALOX15ALDH1A1CA1
SCHEMBL142667 0.84
Hydrochloric Acid SCHEMBL1128238 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 US claimed
US-20040102420-A1 Primary N-hydroxylamines NIH 2004-05-27 US claimed
US-20030153535-A1 Primary N-hydroxylamines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-08-14 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-20080268537-A1 PRIMARY N-HYDROXYLAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-30 US disclosed
US-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 US disclosed
US-20040102420-A1 Primary N-hydroxylamines NIH 2004-05-27 US disclosed
US-20030153535-A1 Primary N-hydroxylamines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-08-14 US disclosed
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 disclosed
WO-2001030979-A1 PRIMARY N-HYDROXYLAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-05-03 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-20030153535-A1 Primary N-hydroxylamines HNMT, NNMT, NAT1 TSHR 2133/4885EPHX1 843/4885ALOX15 1381/4885

“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.