SCHEMBL3119092

SCHEMBL3119092

Cn1ncc(NC(=O)O)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.38
BRD4 O60885 3/20 0.37
BRD9 Q9H8M2 3/20 0.37
NTRK1 P04629 2/20 0.36
KAT2B Q92831 2/20 0.36
BPTF Q12830 1/20 0.36
VNN1 O95497 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
ITK Q08881 1/20 0.34

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
SCHEMBL6065837 0.90 LPAR1 (0.37) LPAR1BRD4BRD9NTRK1KAT2B
SCHEMBL6425412 0.90 ALDH1A1 (0.37) LPAR1BRD4BRD9NTRK1KAT2B
SCHEMBL6065834 0.89 LPAR1 (0.36) LPAR1BRD4BRD9NTRK1KAT2B
SCHEMBL6425423 0.87 HPGD (0.40) NTRK1ALDH1A1KDM4ENPC1HPGD
SCHEMBL5500962 0.87 ADRA2C (0.39) LPAR1BRD4BRD9NTRK1KAT2B
SCHEMBL3111828 0.87 NTRK1 (0.36) LPAR1BRD4BRD9NTRK1KAT2B
SCHEMBL5493797 0.85 NTRK1 (0.42) BRD4BRD9NTRK1ALDH1A1KDM4E
SCHEMBL6425378 0.85 LPAR1 (0.37) LPAR1BRD4BRD9NTRK1KDM4E
SCHEMBL3105963 0.85 ALDH1A1 (0.41) LPAR1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5497720 0.85 KDM4E (0.36) LPAR1BRD4BRD9NTRK1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (3 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 LPAR1 3610/4885BRD4 3535/4885BRD9 3009/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 LPAR1 3937/4885BRD4 3504/4885BRD9 2975/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S LPAR1 2862/4885BRD4 3465/4885BRD9 2353/4885

“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.