SCHEMBL3592818

SCHEMBL3592818

CC(=O)n1ncc2c([N+](=O)[O-])cc(Cl)cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.73
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
LIMK1 P53667 1/20 0.38
IKBKE Q14164 1/20 0.38
MAPK14 Q16539 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
SCHEMBL4555720 0.93 CREBBP (0.64) CREBBPLMNAHTTMITFALDH1A1
SCHEMBL14272018 0.84 CREBBP (0.75) CREBBPLMNAHTTMITFALDH1A1
SCHEMBL1100436 0.77 CREBBP (0.64) CREBBPLMNAHTTMITFALDH1A1
SCHEMBL3608159 0.77 CHEK1 (0.48) CREBBPCYP3A4L3MBTL1CHEK1AURKA
SCHEMBL12499174 0.75 CREBBP (0.45) CREBBPALDH1A1CYP3A4CHEK1AURKA
SCHEMBL13462503 0.74 CREBBP (0.44) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL15491013 0.72 CREBBP (0.42) CREBBPALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11485102 0.70 CREBBP (0.56) CREBBPLMNAHTTMITFALDH1A1
SCHEMBL30861109 0.70 VCAM1 (0.38) CREBBPLMNAHTTMITFALDH1A1
SCHEMBL27227867 0.70 VCAM1 (0.38) CREBBPLMNAHTTMITFALDH1A1

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-1897550-A2 Prodrugs of Excitatory Amino Acids Eli Lilly & Company (US) 2008-03-12 EP claimed
US-20050222231-A1 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2005-10-06 US claimed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-7671082-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2010-03-02 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
US-7371872-B2 Prodrugs of excitatory amino acids ELI LILLY AND COMPANY (US) 2008-05-13 US disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CREBBP 424/4885LMNA 2021/4885HTT 4702/4885
US-20050222231-A1 Prodrugs of excitatory amino acids SLC1A2, SLC1A1, SLC1A3 CREBBP 3432/4885LMNA 4220/4885HTT 292/4885

“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.