SCHEMBL2990218

SCHEMBL2990218

CCc1nc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.40
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
ENPP2 Q13822 2/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 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
SCHEMBL2990222 1.00 CISD1 (0.40) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2984473 0.85 CISD1 (0.40) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2993018 0.84 CISD1 (0.39) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2993654 0.82 CISD1 (0.38) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2996639 0.82 CISD1 (0.40) CISD1MEN1KMT2AENPP2POLB
SCHEMBL2996637 0.82 CISD1 (0.40) CISD1MEN1KMT2AENPP2POLB
SCHEMBL4587397 0.81 ALDH1A1 (0.38) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL4587403 0.81 ALDH1A1 (0.38) CISD1MEN1KMT2AKDM4EMAPT
SCHEMBL2996292 0.80 ALOX5 (0.40) CISD1MEN1KMT2AMAPTENPP2
SCHEMBL2996287 0.80 ALOX5 (0.40) CISD1MEN1KMT2AMAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 3112/4885MEN1 3889/4885KMT2A 3294/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885MEN1 37/4885KMT2A 2272/4885

“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.