SCHEMBL5872898

SCHEMBL5872898

Oc1ccccc1-c1sc(-c2n[nH]c3ccccc23)nc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.43
TTK P33981 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPK10 P53779 1/20 0.43
MAP2K4 P45985 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
ITK Q08881 2/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
LRRK2 Q5S007 2/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
AURKA O14965 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
ILK Q13418 1/20 0.36

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
SCHEMBL5768215 0.84 IDO1 (0.57) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL9876317 0.78 IDO1 (0.58) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5778957 0.76 SMN1; SMN2 (0.56) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5771654 0.72 ALDH1A1 (0.65) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5773795 0.70 MAP2K4 (0.53) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5772793 0.69 JAK2 (0.43) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5773591 0.69 JAK2 (0.47) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5773293 0.68 IDO1 (0.53) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL11012724 0.67 ESR1 (0.59) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL1672674 0.67 IDO1 (0.78) IDO1TTKKDM4EALDH1A1ALPL

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885TTK 624/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885TTK 624/4885KDM4E 2869/4885

“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.