SCHEMBL20066498

SCHEMBL20066498

Cc1cc(Cc2ccccc2)on1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 2/20 0.48
ALDH1A1 P00352 2/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
BRD4 O60885 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.41
KCNH2 Q12809 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CALM1 P0DP23 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL13183799 0.84 KMT2A (0.46) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL17321303 0.83 KMT2A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL20066502 0.81 MEN1 (0.44) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL20066500 0.81 KMT2A (0.44) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL20020093 0.81 KMT2A (0.44) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20507231 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1NPBWR1MCHR1
SCHEMBL20020199 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1NPBWR1MCHR1
SCHEMBL17321301 0.78 SMN1; SMN2 (0.49) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL20066499 0.77 CYP11B1 (0.48) MEN1KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL1979451 0.77 SMN1; SMN2 (0.43) CYP11B1CYP11B2ALDH1A1SMN1; SMN2RAB9A

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-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-20180104220-A1 IMIDAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2018-04-19 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS MEN1 3916/4885KMT2A 2086/4885CYP11B1 229/4885
US-20180104220-A1 IMIDAZOLE COMPOUND MAPT, SLC10A2, SLC5A11 MEN1 574/4885KMT2A 2814/4885CYP11B1 69/4885

“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.