SCHEMBL22656785

SCHEMBL22656785

CCCC(=O)c1[nH]cnc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.41
XDH P47989 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GABRR1 P24046 1/20 0.37
HSD17B3 P37058 1/20 0.36
GDA Q9Y2T3 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34

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
Bromide SCHEMBL10859520 0.78 KDM4E (0.39) KDM4ELMNASMN1; SMN2GABRR1GDA
SCHEMBL1186099 0.74 KDM4E (0.68) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL22656784 0.74 GABRR1 (0.44) KDM4ELMNAXDHSMN1; SMN2GABRR1
SCHEMBL5726855 0.74
SCHEMBL1667866 0.74
SCHEMBL13847664 0.74 NPSR1 (0.45) KDM4ELMNAXDHSMN1; SMN2ALDH1A1
SCHEMBL11507885 0.72
Hydrochloric Acid SCHEMBL947740 0.72 KDM4E (0.47) KDM4ELMNASMN1; SMN2GABRR1GDA
SCHEMBL2824171 0.72 GAA (0.53) KDM4ESMN1; SMN2GDAALDH1A1TDP1
SCHEMBL16380546 0.71 LMNA (0.73) KDM4ELMNAXDHSMN1; SMN2ALDH1A1

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
EP-3747881-B1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 EP disclosed
US-11292785-B2 Nitrogen-containing benzoheterocycle compound comprising carboxylic acid group, preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-04-05 US disclosed
EP-3747881-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-12-09 EP disclosed
US-20200361911-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-11-19 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-20200361911-A1 NITROGEN-CONTAINING BENZOHETEROCYCLE COMPOUND COMPRISING CARBOXYLIC ACID GROUP, PREPARATION METHOD AND USE THEREOF CCR2, CCR5, CCR1 KDM4E 3329/4885LMNA 2717/4885XDH 1023/4885
US-11292785-B2 Nitrogen-containing benzoheterocycle compound comprising carboxylic acid group, preparation method and use thereof CCR2, CCR5, CCR1 KDM4E 3329/4885LMNA 2717/4885XDH 1023/4885

“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.