SCHEMBL21149846

SCHEMBL21149846

O=C1C[C@@H]2Cc3ccccc3C2N1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PRCP P42785 1/20 0.37
BRD4 O60885 4/20 0.36
CREBBP Q92793 3/20 0.36
TSHR P16473 1/20 0.36
EP300 Q09472 1/20 0.36
ANPEP P15144 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL9940591 1.00 KMT2A (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22201161 1.00 KMT2A (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9940797 1.00 KMT2A (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30371814 1.00 KMT2A (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23876659 0.84 PRCP (0.44) PRCPSIGMAR1
SCHEMBL11646890 0.84 RAB9A (0.43) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15016648 0.77 HTR2C (0.36) SMN1; SMN2BRD4CREBBP
SCHEMBL18321929 0.76 CMA1 (0.40) KMT2ASMN1; SMN2
SCHEMBL10801674 0.76 ACHE (0.38) KMT2ACHRNB2CHRNA4
SCHEMBL10807670 0.76 AHR (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same INSTITUTE FOR BASIC SCIENCE (KR) 2022-05-31 US disclosed
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-10-22 US disclosed
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 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 (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-11344872-B2 Metal complex, method for producing same, and method for producing gamma-lactam compound using same COASY, NOTUM, MRPL21 KMT2A 1518/4885GRIN2D 1426/4885GRIN3B 603/4885
US-20200330969-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME COASY, NOTUM, MRPL21 KMT2A 1875/4885GRIN2D 1343/4885GRIN3B 658/4885

“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.