SCHEMBL5129168

SCHEMBL5129168

Oc1ccc2c(/N=C/c3ccccc3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
DHODH Q02127 3/20 0.58
CHAT P28329 1/20 0.50
AKR1C3 P42330 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 2/20 0.40
APAF1 O14727 1/20 0.40
SAE1 Q9UBE0 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
SCHEMBL5129172 1.00 MEN1 (0.58) MEN1KMT2ADHODHCHATAKR1C3
SCHEMBL249985 0.88 MEN1 (0.58) MEN1KMT2ADHODHCHATAKR1C3
SCHEMBL249986 0.88 MEN1 (0.58) MEN1KMT2ADHODHCHATAKR1C3
SCHEMBL12417102 0.81 DHODH (0.71) MEN1KMT2ADHODHCHATL3MBTL1
SCHEMBL10799444 0.81 DHODH (0.71) MEN1KMT2ADHODHCHATL3MBTL1
SCHEMBL5363618 0.81 DHODH (0.71) MEN1KMT2ADHODHCHATL3MBTL1
SCHEMBL28903546 0.81 CHAT (0.54) MEN1KMT2ADHODHCHATL3MBTL1
SCHEMBL14383575 0.76 CHAT (0.63) MEN1KMT2ADHODHCHATAKR1C3
SCHEMBL10916553 0.76 MEN1 (0.47) MEN1KMT2ADHODHALDH1A1HSD17B10
SCHEMBL28320760 0.76 DHODH (0.59) MEN1KMT2ADHODHCHATL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 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-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 MEN1 3857/4885KMT2A 4656/4885DHODH 544/4885

“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.