SCHEMBL5467765

SCHEMBL5467765

NC(=O)c1ccccc1N(CCO)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
NSD2 O96028 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.42
BCAT2 O15382 1/20 0.41
RPS6KB1 P23443 1/20 0.40
TSHR P16473 1/20 0.40
PARP1 P09874 2/20 0.39

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
SCHEMBL5471707 0.88 KDM4E (0.42) ALDH1A1NPC1MAPTHTTRAB9A
Hydrochloric Acid SCHEMBL11448294 0.87 KDM4E (0.41) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL5856840 0.79 CYP1A2 (0.47) ALDH1A1L3MBTL1HTTSMN1; SMN2KDM4E
SCHEMBL11465712 0.76 HTR1A (0.53) ADRA1D
SCHEMBL6118873 0.75 PTPN1 (0.50) ALDH1A1SMN1; SMN2KDM4ETSHRKMT2A
SCHEMBL9280704 0.75 PTPN1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2KDM4E
SCHEMBL8355276 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1MITFNSD2
SCHEMBL11456542 0.74 SIGMAR1 (0.49) KMT2AMEN1
SCHEMBL11319896 0.73 NR3C1 (0.41) ALDH1A1L3MBTL1NPC1MITFNSD2
SCHEMBL7778295 0.73 KDM4E (0.40) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2

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
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 ALDH1A1 1875/4885L3MBTL1 1747/4885NPC1 4313/4885

“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.