SCHEMBL19971597

SCHEMBL19971597

O=C(O)c1cn2c3c(cccc3c1=O)Oc1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.48
TOP2B Q02880 7/20 0.48
TOP1 P11387 4/20 0.45
KDM4E B2RXH2 1/20 0.41
CHRM1 P11229 1/20 0.41
P2RX4 Q99571 2/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL3691781 0.77 TOP1 (0.75) TOP2ATOP2BTOP1
SCHEMBL4567547 0.69 TOP2A (0.66) TOP2ATOP2BTOP1
SCHEMBL3267841 0.69 CHRM1 (0.42) TOP1KDM4ECHRM1LMNAMAOB
SCHEMBL2183758 0.68 MCL1 (0.49) KDM4ECHRM1LMNA
Hydrochloric Acid SCHEMBL10435583 0.68 CHRM1 (0.41) TOP1KDM4ECHRM1LMNAMAOB
SCHEMBL27537560 0.67 LMNA (0.51) KDM4ECHRM1LMNA
Phthalic Acid SCHEMBL28481098 0.66 ALDH1A1 (0.70) KDM4EP2RX4ALOX5
SCHEMBL5100563 0.66 KDM4E (0.61) KDM4ECHRM1LMNA
SCHEMBL30309433 0.66 KDM4E (0.61) KDM4ECHRM1LMNA
SCHEMBL9559749 0.65 KDM4E (0.44) KDM4ECHRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654869-B2 Bacterial topoisomerase I inhibitors with antibacterial activity THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2020-05-19 US disclosed
US-20190194224-A1 BACTERIAL TOPOISOMERASE I INHIBITORS WITH ANTIBACTERIAL ACTIVITY THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2019-06-27 US disclosed
US-10266550-B2 Bacterial topoisomerase I inhibitors with antibacterial activity THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2019-04-23 US disclosed
US-20180079757-A1 BACTERIAL TOPOISOMERASE I INHIBITORS WITH ANTIBACTERIAL ACTIVITY THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2018-03-22 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 (4 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-20180079757-A1 BACTERIAL TOPOISOMERASE I INHIBITORS WITH ANTIBACTERIAL ACTIVITY TOP1, TOP2A, TOP2B TOP2A 2/4885TOP2B 3/4885TOP1 1/4885
US-10654869-B2 Bacterial topoisomerase I inhibitors with antibacterial activity TOP1, TOP2A, TOP2B TOP2A 2/4885TOP2B 3/4885TOP1 1/4885
US-10266550-B2 Bacterial topoisomerase I inhibitors with antibacterial activity TOP1, TOP2A, TOP2B TOP2A 2/4885TOP2B 3/4885TOP1 1/4885
US-20190194224-A1 BACTERIAL TOPOISOMERASE I INHIBITORS WITH ANTIBACTERIAL ACTIVITY TOP1, TOP2A, TOP2B TOP2A 2/4885TOP2B 3/4885TOP1 1/4885

“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.