SCHEMBL21148829

SCHEMBL21148829

O=C(CCCc1ccc(F)cc1)NO

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.69
HDAC2 Q92769 9/20 0.68
HDAC3 O15379 6/20 0.68
HDAC6 Q9UBN7 6/20 0.68
HDAC8 Q9BY41 4/20 0.68
HDAC5 Q9UQL6 3/20 0.68
LMNA P02545 2/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC4 P56524 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
ALOX5 P09917 1/20 0.59

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
SCHEMBL28449888 0.95 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL6849672 0.84 LMNA (0.60) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL8249818 0.84 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL21149882 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL22190340 0.81 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL22190394 0.81 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL5020669 0.81 HDAC1 (0.93) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL22190399 0.81 HDAC1 (0.90) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL5020670 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC8
Phenylbutyrylhydroxamic Acid SCHEMBL1350853 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC8

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-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME INSTITUTE FOR BASIC SCIENCE (KR) 2022-06-02 US disclosed
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2022-05-31 US disclosed
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-10-22 US disclosed
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 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-20220168717-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 HDAC1 1597/4885HDAC2 2165/4885HDAC3 4052/4885
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 HDAC1 1465/4885HDAC2 1983/4885HDAC3 3971/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 HDAC1 1597/4885HDAC2 2165/4885HDAC3 4052/4885

“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.