SCHEMBL18549019

SCHEMBL18549019

Nc1nc2ccc3ccccc3c2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.52
NUDT1 P36639 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
NCF1 P14598 2/20 0.42
NOS2 P35228 2/20 0.42
BACE1 P56817 2/20 0.42
TYMS P04818 1/20 0.41
HPGD P15428 3/20 0.40
KEAP1 Q14145 1/20 0.40
PRMT5 O14744 1/20 0.40
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 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
SCHEMBL30773494 1.00 ELANE (0.52) ELANENUDT1CYP3A4ALDH1A1HSD17B10
SCHEMBL31694921 0.77 ELANE (0.49) ELANENUDT1ALDH1A1HSD17B10TSHR
SCHEMBL18548985 0.77 ELANE (0.49) ELANENUDT1ALDH1A1HSD17B10TSHR
SCHEMBL10045313 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2517690 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL28594146 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29948066 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL17153835 0.76 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2490973 0.76 KMT2A (0.58) ELANECYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL29728164 0.76 KMT2A (0.58) ELANECYP3A4ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-05-30 US disclosed
EP-4284372-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS University of Florida Research Foundation, Incorporated (US) 2023-12-06 EP disclosed
WO-2022165173-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-08-04 WO disclosed
US-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-16 US disclosed
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE UNIV CALIFORNIA (US) 2017-03-02 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 (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-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use KCNN3, KCNN1, KCNN2 ELANE 2595/4885NUDT1 2147/4885CYP3A4 2112/4885
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS NLN, OAT, PC ELANE 880/4885NUDT1 1017/4885CYP3A4 1659/4885
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE KCNN3, KCNN1, KCNN2 ELANE 2595/4885NUDT1 2147/4885CYP3A4 2112/4885

“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.