SCHEMBL2016539

SCHEMBL2016539

Nc1cc(B(O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
Hydrochloric Acid SCHEMBL2683825 0.98 ALDH1A1 (0.44) ALDH1A1NPC1MAPTTSHRGPR35
SCHEMBL6330190 0.86 CYP19A1 (0.54) ALDH1A1MAPTTSHRGPR35CYP3A4
SCHEMBL539064 0.79 ALDH1A1 (0.60) ALDH1A1NPC1MAPTTSHRGPR35
SCHEMBL65293 0.79 CYP19A1 (0.62) ALDH1A1NPC1MAPTTSHRGPR35
SCHEMBL12265205 0.78 ALDH1A1 (0.47) ALDH1A1MAPTTSHRGPR35SMN1; SMN2
SCHEMBL3755068 0.77 ACP1 (0.41) ALDH1A1MAPTTSHRGPR35CYP3A4
SCHEMBL22206136 0.77 CYP19A1 (0.40) ALDH1A1MAPTTSHRGPR35CYP3A4
SCHEMBL8297742 0.77 TSHR (0.63) ALDH1A1TSHRGPR35CYP3A4SMN1; SMN2
SCHEMBL3319951 0.77 CYP3A4 (0.70) ALDH1A1NPC1TSHRCYP3A4SMN1; SMN2
Urea SCHEMBL3678424 0.75 SMN1; SMN2 (0.63) ALDH1A1NPC1MAPTTSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720728-A1 COATED SILICONE HYDROGEL CONTACT LENSES AND METHOD FOR MAKING THE SAME Alcon Inc. (CH) 2026-04-08 EP claimed
WO-2024241239-A1 COATED SILICONE HYDROGEL CONTACT LENSES AND METHOD FOR MAKING THE SAME ALCON INC. (CH) 2024-11-28 WO claimed
US-20240393501-A1 COATED SILICONE HYDROGEL CONTACT LENSES AND METHOD FOR MAKING THE SAME ALCON INC (CH) 2024-11-28 US claimed
US-11931454-B2 Wet-packed soft hydrogel ocular inserts ALCON INC. (CH) 2024-03-19 US claimed
CN-117270235-A Contact lens having a lubricious coating thereon 爱尔康公司 2023-12-22 CN claimed
CN-111566517-B Contact lens having a lubricious coating thereon 爱尔康公司 2023-11-10 CN claimed
CN-114727954-A Wet packed soft hydrogel ocular inserts 爱尔康公司 2022-07-08 CN claimed
EP-4017478-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS Alcon Inc. (CH) 2022-06-29 EP claimed
EP-3746820-B1 CONTACT LENSES WITH A LUBRICIOUS COATING THEREON ALCON INC (CH) 2022-02-16 EP claimed
US-10962803-B2 Contact lenses with a lubricious coating thereon ALCON INC. (CH) 2021-03-30 US claimed
WO-2021053586-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS ALCON INC. (CH) 2021-03-25 WO claimed
US-20210077385-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS ALCON INC. (CH) 2021-03-18 US claimed
EP-3746820-A1 CONTACT LENSES WITH A LUBRICIOUS COATING THEREON Alcon Inc. (CH) 2020-12-09 EP claimed
CN-111566517-A Contact lenses having lubricious coating thereon 爱尔康公司 2020-08-21 CN claimed
US-20190235277-A1 CONTACT LENSES WITH A LUBRICIOUS COATING THEREON ALCON INC. (CH) 2019-08-01 US claimed
EP-4720728-A1 COATED SILICONE HYDROGEL CONTACT LENSES AND METHOD FOR MAKING THE SAME Alcon Inc. (CH) 2026-04-08 EP disclosed
WO-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 WO disclosed
US-5594111-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-01-14 US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 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 (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-20210077385-A1 WET-PACKED SOFT HYDROGEL OCULAR INSERTS BRI3BP, BRWD1, HRH2 ALDH1A1 1339/4885NPC1 4405/4885MAPT 4141/4885
US-11931454-B2 Wet-packed soft hydrogel ocular inserts BRI3BP, BRWD1, HRH2 ALDH1A1 1339/4885NPC1 4405/4885MAPT 4141/4885
US-20240393501-A1 COATED SILICONE HYDROGEL CONTACT LENSES AND METHOD FOR MAKING THE SAME CRYAB, P4HB, ILK ALDH1A1 561/4885NPC1 3950/4885MAPT 3710/4885

“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.