SCHEMBL3863548

SCHEMBL3863548

C#CC(=O)Oc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMO Q99835 1/20 0.40
SLC6A9 P48067 1/20 0.40
ACLY P53396 3/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
DHODH Q02127 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
FTO Q9C0B1 1/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3862667 0.82 AKR1C4 (0.40) MEN1KMT2AAKR1C2AKR1C1HDAC8
SCHEMBL28090379 0.80 PTK2B (0.46) ESR2MEN1KMT2APOLBLMNA
SCHEMBL3859301 0.79 KMT2A (0.53) MEN1KMT2ASLC6A2SLC6A3POLB
Hydrochloric Acid SCHEMBL3869296 0.78 KMT2A (0.51) MEN1KMT2ASLC6A2SLC6A3POLB
SCHEMBL3857991 0.76 KMT2A (0.44) MEN1KMT2APOLBLMNA
SCHEMBL162350 0.75 KMT2A (0.49) MEN1KMT2ALMNA
SCHEMBL11344213 0.74 HPGD (0.57) ESR2MEN1KMT2ASLC6A9CNR1
Hydrochloric Acid SCHEMBL3857751 0.74 KMT2A (0.47) MEN1KMT2ALMNA
SCHEMBL7571353 0.74 CYP1A2 (0.46) ESR2SLC6A9DHODH
SCHEMBL3860646 0.73 FFAR1 (0.49) MEN1KMT2A

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-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 ESR2 938/4885MEN1 807/4885KMT2A 678/4885

“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.