SCHEMBL7747310

SCHEMBL7747310

CNc1ccccc1C1COC=N1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.34
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL28867385 0.77 TAAR1 (0.51) TAAR1ALDH1A1HTR2CHTR2B
SCHEMBL20385738 0.77 TAAR1 (0.51) TAAR1ALDH1A1HTR2CHTR2B
SCHEMBL25440356 0.71 KDM1A (0.47) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL8055813 0.69 TAAR1 (0.46) TAAR1ALDH1A1MAPTHSD17B10HTR2C
SCHEMBL500727 0.69 TAAR1 (0.46) TAAR1ALDH1A1MAPTHSD17B10HTR2C
SCHEMBL3354178 0.69 TAAR1 (0.46) TAAR1ALDH1A1MAPTHSD17B10HTR2C
SCHEMBL14290407 0.66 PDPK1 (0.44) KDM4EPOLBUSP2ALDH1A1MAPT
SCHEMBL12650555 0.66 KDM4E (0.38) KDM4EPOLBUSP2ALDH1A1MAPT
SCHEMBL12324058 0.66 SLC6A2 (0.39) TAAR1KDM4EPOLBUSP2ALDH1A1
SCHEMBL1133317 0.65 SMN1; SMN2 (0.36)

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-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions BASF CORPORATION 2001-08-30 US disclosed
US-6235901-B1 CAN BE POLYMERIZED AND/OR COPOLYMERIZED BY CATONIC POLYMERIZATION; CAN BE CROSSLINKED AND ARE USEFUL IN COATINGS, INKS, OVERPRINT VARNISHES, AND SURFACE TREATMENT APPLICATIONS. S. C. JOHNSON COMMERCIAL MARKETS, INC. 2001-05-22 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-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions ITGB7, DNMT3A, KAT7 TAAR1 171/4885KDM4E 567/4885POLB 520/4885

“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.