SCHEMBL19873752

SCHEMBL19873752

Nc1cncc(CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
DDO Q99489 1/20 0.52
NAPRT Q6XQN6 1/20 0.48
GABRA5 P31644 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA1 P14867 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47

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
SCHEMBL24844789 0.85 NAPRT (0.57) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL7675347 0.79
SCHEMBL30202942 0.78 CYP11B1 (0.51) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL24952236 0.78 CYP11B1 (0.51) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL3484036 0.78 NAPRT (0.50) KDM4EALDH1A1LMNANAPRTGABRA5
SCHEMBL30020918 0.77 LMNA (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL27175798 0.77 LMNA (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL5193481 0.76 GABRP (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL1000178 0.76 GABRP (0.48) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL3721675 0.76 HCAR2 (0.52) NAPRTGABRA5GABRB2GABRA1GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 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 (2 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 KDM4E 4097/4885ALDH1A1 467/4885LMNA 2149/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR KDM4E 3923/4885ALDH1A1 554/4885LMNA 2057/4885

“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.