SCHEMBL27090181

SCHEMBL27090181

CC(C)(C)c1cccc(OCC(=O)NCc2ccc(O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ HPGD P15428 2/20 0.53
▸ ERCC1 P07992 1/20 0.52
▸ ERCC4 Q92889 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LSS P48449 1/20 0.49
▸ FFAR1 O14842 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX12 P18054 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL29754911 1.00 KMT2A (0.53) KMT2AHPGDERCC1ERCC4SMN1; SMN2
SCHEMBL5177358 0.86 KDM4E (0.60) KMT2AHPGDALDH1A1MAPK1KDM4E
SCHEMBL27090197 0.82 FFAR1 (0.64) KMT2ASMN1; SMN2FFAR1MEN1ALDH1A1
SCHEMBL29754989 0.82 FFAR1 (0.64) KMT2ASMN1; SMN2FFAR1MEN1ALDH1A1
SCHEMBL5178619 0.82 GAA (0.54) KMT2AHPGDERCC1ERCC4SMN1; SMN2
SCHEMBL24590728 0.81 NR4A1 (0.48) KMT2AFFAR1ALDH1A1HTTKDM4E
SCHEMBL3567670 0.81 KMT2A (0.73) KMT2AHPGDERCC1ERCC4MEN1
SCHEMBL12082548 0.79 SYK (0.58) KMT2AFFAR1HTTKDM4EGAA
SCHEMBL9263657 0.78 KDM4E (0.63) KMT2AHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL5272546 0.78 TRPV1 (0.58) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240051975-A1 NOVEL NAMPT ENZYME AGONIST AND PREPARATION AND USE THEREOF TSINGHUA UNIVERSITY (CN) 2024-02-15 — — US disclosed
CN-114716343-B Novel NAMPT enzyme agonist, preparation and application thereof 清华大学 2023-03-21 — — CN disclosed
CN-114716343-A Novel NAMPT enzyme agonist, preparation and application thereof 清华大学 2022-07-08 — — CN disclosed
WO-2022135617-A1 NOVEL NAMPT ENZYME AGONIST AND PREPARATION AND USE THEREOF 清华大学 2022-06-30 — — 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-20240051975-A1 NOVEL NAMPT ENZYME AGONIST AND PREPARATION AND USE THEREOF NAMPT, NAT1, SIRT1 KMT2A 1803/4885HPGD 146/4885ERCC1 4529/4885

“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.

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