SCHEMBL891832

SCHEMBL891832

O=C(O)N(C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 6/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PAX8 Q06710 1/20 0.42
ALOX15 P16050 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL5706292 0.89 NPSR1 (0.56) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL1409829 0.85 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL8583028 0.85 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL7080162 0.85 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL4419504 0.85 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL4690660 0.85 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL4690665 0.85 CRHBP (0.53) NPSR1ALDH1A1HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL11686695 0.83 CRHBP (0.51) NPSR1ALDH1A1HTTKMT2ANPC1
Hydrochloric Acid SCHEMBL11791075 0.83 NPSR1 (0.44) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL27685166 0.83 L3MBTL1 (0.50) NPSR1ALDH1A1KMT2ARAB9ATSHR

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114514251-A Polymer dispersions and fabric conditioning compositions comprising the same 罗地亚经营管理公司 2022-05-17 CN claimed
CN-109503419-A A kind of alternately bilayer azobenzene/graphene composite energy-storage material and preparation method 天津大学 2019-03-22 CN claimed
CN-109503420-A A kind of dual graft azobenzene/graphene composite energy-storage material and preparation method 天津大学 2019-03-22 CN claimed
US-8951499-B2 Trifunctional reagent for conjugation to a biomolecule UNIVERSITY OF WASHINGTON (US) 2015-02-10 US claimed
US-20140179877-A1 MACROMOLECULE CONJUGATE BIOTECH IGG AB (SE) 2014-06-26 US claimed
US-20110014151-A1 MACROMOLECULE CONJUGATE BIOTECH IGG AB (SE) 2011-01-20 US claimed
EP-1095274-B1 TRIFUNCTIONAL REAGENT FOR CONJUGATION TO A BIOMOLECULE DEPT OF RADIATION ONCOLOGY UNI (US) 2010-09-29 EP claimed
US-20100135976-A1 ADSORPTION DEVICE NILSSON RUNE 2010-06-03 US claimed
EP-2035061-A1 AN ADSORPTION DEVICE Biotech - IgG AB (SE) 2009-03-18 EP claimed
US-20080267865-A1 Targeting of Erb Antigens BIOTECH IGG AB 2008-10-30 US claimed
US-20050271673-A1 Trifunctional reagent for conjugation to a biomolecule GLYCOREX TRANSPLANTATION AB (SE) 2005-12-08 US claimed
EP-1569690-A1 ANTILYMPHOMA TARGETING AGENTS WITH EFFECTOR AND AFFINITY FUNCTIONS LINKED BY A TRIFUNCTIONAL REAGENT Mitra Medical Technology AB (SE) 2005-09-07 EP claimed
WO-2005051424-A1 TARGETING OF ERB ANTIGENS MITRA MEDICAL AB (SE) 2005-06-09 WO claimed
WO-2004054615-A1 ANTILYMPHOMA TARGETING AGENTS WITH EFFECTOR AND AFFINITY FUNCTIONS LINKED BY A TRIFUNCTIONAL REAGENT MITRA MEDICAL TECHNOLOGY AB (SE) 2004-07-01 WO claimed
US-20010023288-A1 Trifunctional reagent for conjugation to a biomolecule GLYCOREX TRANSPLANTATION AB (SE) 2001-09-20 US claimed
US-5958373-A Polychelants as contrast enhancing agents NYCOMED SALUTAR INC. (US) 1999-09-28 US claimed
EP-0717737-B1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR INC (US) 1999-04-07 EP claimed
EP-0717737-A1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR, INC. (US) 1996-06-26 EP claimed
WO-1995007270-A1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR, INC. (US) 1995-03-16 WO claimed
US-5189154-A Ink jet printing dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20010023288-A1 Trifunctional reagent for conjugation to a biomolecule CD40, UACA, CD47 NPSR1 2303/4885ALDH1A1 435/4885HTT 3409/4885
US-20050271673-A1 Trifunctional reagent for conjugation to a biomolecule UACA, TNFRSF1A, TNFSF11 NPSR1 2454/4885ALDH1A1 295/4885HTT 1350/4885
US-20080267865-A1 Targeting of Erb Antigens ESR1, ESR2, ESRRG NPSR1 2012/4885ALDH1A1 2257/4885HTT 3330/4885

“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.