SCHEMBL22080751

SCHEMBL22080751

CCCCN1C(=O)c2ccc(NC(C)=O)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.60
▸ HPGD P15428 6/20 0.60
▸ HSD17B10 Q99714 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ KMT2A Q03164 4/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPK1 P28482 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ACHE P22303 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAOA P21397 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10912020 0.80 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL14557208 0.79 KLK7 (0.57) ALDH1A1HPGDKDM4EKMT2APOLB
SCHEMBL10912534 0.77 HPGD (0.49) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL13486970 0.77 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL17946077 0.77 ALDH1A1 (0.75) ALDH1A1HSD17B10KDM4EKMT2APOLB
SCHEMBL8619433 0.76 KDM4E (0.53) ALDH1A1HSD17B10KDM4EKMT2AMAPK1
SCHEMBL2884714 0.76 KDM4E (0.49) ALDH1A1HSD17B10KDM4EKMT2AMAPK1
SCHEMBL28415110 0.76 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL8502643 0.76 KDM4E (0.70) ALDH1A1HSD17B10KDM4EKMT2APOLB
SCHEMBL17946339 0.76 KDM4E (0.70) ALDH1A1HSD17B10KDM4EKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2022-01-20 — — US disclosed
WO-2020114936-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2020-06-11 — — 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 (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-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS GABBR1, GABBR2, SULT2A1 ALDH1A1 488/4885HPGD 2675/4885HSD17B10 430/4885

“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.

Send feedback