SCHEMBL9344684

SCHEMBL9344684

O=Cc1c(Cl)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CLCN2 P51788 1/20 0.41
KIF11 P52732 1/20 0.36
KDR P35968 1/20 0.36
CTSS P25774 2/20 0.35
NOTUM Q6P988 6/20 0.34
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.33
CTSK P43235 1/20 0.33
PDK1 Q15118 1/20 0.33
IDO1 P14902 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL7927635 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL6723976 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL671603 0.81 ERN1 (0.35) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL30480764 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL613749 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL658325 0.77 KMT2A (0.38) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL8404988 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1CLCN2
SCHEMBL9030271 0.76 MEN1 (0.35) ALDH1A1MEN1KMT2ATDP1KIF11
SCHEMBL9340518 0.76 NOTUM (0.39) ALDH1A1MEN1KMT2ATDP1KIF11
SCHEMBL909840 0.76 MEN1 (0.61) ALDH1A1MEN1KMT2ATDP1CTSS

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
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
WO-2021067943-A1 PIEZO1 AGONISTS FOR THE PROMOTION OF BONE FORMATION BIOVENTURES, LLC (US) 2021-04-08 WO disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2018-12-20 US disclosed
EP-3368544-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII H. Hoffnabb-La Roche Ag (CH) 2018-09-05 EP disclosed
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2017-08-17 US disclosed
WO-2017072062-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII F. HOFFMANN-LA ROCHE AG (CH) 2017-05-04 WO disclosed
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP disclosed
US-5041683-A Nuclear-fluorinated trifluoromethylbenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 EP 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 (5 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885MEN1 650/4885KMT2A 4041/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885MEN1 650/4885KMT2A 4041/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885MEN1 650/4885KMT2A 4041/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885MEN1 650/4885KMT2A 4041/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885MEN1 650/4885KMT2A 4041/4885

“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.