SCHEMBL22656784

SCHEMBL22656784

CCCC(=O)c1nc[nH]c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B3 P37058 1/20 0.36
FDPS P14324 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL2114938 0.74 KDM4E (0.63) KDM4ELMNASMN1; SMN2HSD17B10RAB9A
SCHEMBL22656785 0.74 KDM4E (0.42) GABRR1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL266474 0.74
SCHEMBL2588734 0.72
Hydrochloric Acid SCHEMBL3448931 0.72 KDM4E (0.51) GABRR1KDM4ESMN1; SMN2HSD17B10CYP2C19
SCHEMBL11619128 0.71 GABRR1 (0.39) GABRR1KDM4ESMN1; SMN2HSD17B10CYP2C19
SCHEMBL11725688 0.71 LMNA (0.73) KDM4ELMNASMN1; SMN2HSD17B10CYP2C19
Potassium Ion SCHEMBL11400680 0.71 GABRR1 (0.44) GABRR1KDM4ELMNASMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL11004255 0.71 GABRR1 (0.44) GABRR1KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL11395637 0.71 GABRR1 (0.44) GABRR1KDM4ELMNASMN1; SMN2HSD17B10

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 GABRR1 567/4885KDM4E 3329/4885LMNA 2717/4885
US-11292785-B2 Nitrogen-containing benzoheterocycle compound comprising carboxylic acid group, preparation method and use thereof CCR2, CCR5, CCR1 GABRR1 567/4885KDM4E 3329/4885LMNA 2717/4885

“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.