SCHEMBL2204971

SCHEMBL2204971

CCOC(=O)c1[nH]c2ccc(F)cc2c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 10/20 0.54
HPGD P15428 10/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL829961 0.86 ALDH1A1 (0.71) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL24375425 0.86 KMT2A (0.58) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL3283431 0.86 ALDH1A1 (0.69) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL18531909 0.85 GAA (0.63) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL6957015 0.85 KMT2A (0.55) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL39909 0.84 ALDH1A1 (0.66) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL1503818 0.84 KMT2A (0.56) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL8959676 0.84 DRD2 (0.62) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL31682820 0.84 ALDH1A1 (0.76) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL14174305 0.84 ALDH1A1 (0.76) KMT2AALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043115-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. (US) 2025-02-27 WO disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 US disclosed
WO-2021243273-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
WO-2021243273-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
EP-2134685-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2008130970-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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 (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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 KMT2A 2580/4885ALDH1A1 2621/4885KDM4E 2355/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 KMT2A 2580/4885ALDH1A1 2621/4885KDM4E 2355/4885
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 KMT2A 4712/4885ALDH1A1 1004/4885KDM4E 4432/4885

“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.