SCHEMBL18795641

SCHEMBL18795641

COC(=O)c1ccccc1Sc1c(Cl)cc(Br)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKLR P30613 1/20 0.40
SLC6A3 Q01959 2/20 0.38
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.36
KMT2A Q03164 3/20 0.36
SLC6A4 P31645 1/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL18795791 0.89 MAPT (0.47) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795548 0.88 MAPT (0.45) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795981 0.87 MAPT (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795300 0.83 MAPT (0.42) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795437 0.83 LMNA (0.42) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL29984375 0.83 MAPT (0.42) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795490 0.83 MAPT (0.47) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795928 0.82 L3MBTL1 (0.43) MAPTALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL18795190 0.81 MAPT (0.36) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL18795192 0.81 MAPT (0.36) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4

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 9 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
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

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 MAPT 4627/4885ALDH1A1 4290/4885SMN1; SMN2 4573/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 MAPT 4627/4885ALDH1A1 4290/4885SMN1; SMN2 4573/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAPT 4627/4885ALDH1A1 4290/4885SMN1; SMN2 4573/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MAPT 4627/4885ALDH1A1 4290/4885SMN1; SMN2 4573/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 MAPT 4627/4885ALDH1A1 4290/4885SMN1; SMN2 4573/4885

“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.