SCHEMBL14944890

SCHEMBL14944890

C[C@@H](N)Cn1nc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAOA P21397 4/20 0.39
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.38
HTT P42858 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9969986 0.83 ALDH1A1 (0.44) KDM4EHPGDADORA2AMAPTL3MBTL1
SCHEMBL7570582 0.79 LMNA (0.38) KDM4EHPGDMAPTL3MBTL1HTT
SCHEMBL818131 0.74 KDM4E (0.38) KDM4EHPGDMAPTL3MBTL1HTT
SCHEMBL14478264 0.73 NPC1 (0.44) KDM4EHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL5827488 0.73 ALPI (0.47) LTA4H
SCHEMBL20872965 0.72 CSNK2A1 (0.53) KDM4EMAPTHTTSMN1; SMN2LMNA
SCHEMBL23046922 0.71 TSHR (0.51) KDM4EMAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL3269459 0.70 KDM4E (0.42) KDM4EHPGDMAPTL3MBTL1HTT
SCHEMBL6229399 0.70 HTT (0.45) KDM4EHPGDMAPTL3MBTL1HTT
SCHEMBL15084877 0.70 CSNK1E (0.48) MAOATAAR1SLC6A2SLC6A4SLC6A3

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KDM4E 648/4885HPGD 4310/4885MAOA 3648/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KDM4E 608/4885HPGD 4318/4885MAOA 3604/4885

“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.