SCHEMBL7927635

SCHEMBL7927635

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KIF11 P52732 1/20 0.36
KDR P35968 1/20 0.36
CLCN2 P51788 1/20 0.35
NOTUM Q6P988 3/20 0.34
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
CTSS P25774 1/20 0.32
NPFFR1 Q9GZQ6 2/20 0.32
NPFFR2 Q9Y5X5 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL9344684 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL30480764 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL7926449 0.82 KIF11 (0.42) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL613749 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL8401545 0.81 KIF11 (0.34) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL8404988 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL658325 0.81 KMT2A (0.38) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL6723976 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL9340518 0.76 NOTUM (0.39) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL909840 0.76 MEN1 (0.61) ALDH1A1KMT2AMEN1TDP1CTSS

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10095742-A None JP disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 CN disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
EP-3609904-B1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (CH) 2022-11-30 EP disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
US-11066443-B2 Anti-bacterial peptide macrocycles and use thereof HOFFMANN-LA ROCHE INC. (US) 2021-07-20 US disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3609904-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (US) 2020-02-06 US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 US disclosed
WO-2013074930-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY (US) 2013-05-23 WO disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 WO disclosed
EP-0847977-B1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2001-08-29 EP disclosed
US-6054605-A CHEMICAL INTERMEDIATE FOR DRUGS, PESTICIDES NIPPON SODA CO., LTD. (JP) 2000-04-25 US disclosed
US-6054624-A USEFUL AS THE STARTING MATERIALS FOR PRODUCING PESTICIDES, DRUGS AND THE LIKE NIPPON SODA CO., LTD. (JP) 2000-04-25 US disclosed
US-5977414-A 2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof NIPPON SODA CO., LTD. (JP) 1999-11-02 US disclosed
EP-0881207-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NIPPON SODA CO., LTD. (JP) 1998-12-02 EP disclosed
EP-0847977-A1 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1998-06-17 EP disclosed
JP-H1095742-A 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBEZALDEHYDE AND ITS PRODUCTION NIPPON SODA CO LTD 1998-04-14 JP 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-11066443-B2 Anti-bacterial peptide macrocycles and use thereof CFTR, VIP, NGLY1 ALDH1A1 4791/4885KMT2A 4556/4885MEN1 635/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885KMT2A 4041/4885MEN1 650/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885KMT2A 4041/4885MEN1 650/4885
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 ALDH1A1 911/4885KMT2A 768/4885MEN1 3886/4885
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF CFTR, VIP, NGLY1 ALDH1A1 4791/4885KMT2A 4556/4885MEN1 635/4885

“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.