SCHEMBL21479904

SCHEMBL21479904

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.49
MAOB P27338 5/20 0.49
CES1 P23141 2/20 0.47
TGM2 P21980 1/20 0.47
AGTR1 P30556 1/20 0.43
PTPRC P08575 1/20 0.42
NTRK1 P04629 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
LRRK2 Q5S007 2/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40

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
SCHEMBL22300036 1.00 MAOA (0.49) MAOAMAOBCES1TGM2AGTR1
SCHEMBL15764198 0.93 TGM2 (0.50) MAOAMAOBCES1TGM2AGTR1
SCHEMBL23752448 0.90 TGM2 (0.61) MAOAMAOBCES1TGM2AGTR1
SCHEMBL12589678 0.90 TGM2 (0.57) MAOAMAOBCES1TGM2AGTR1
SCHEMBL3848773 0.90 TGM2 (0.61) MAOAMAOBCES1TGM2AGTR1
Indirubin SCHEMBL20535353 0.86 MAOA (0.64) MAOAMAOBTGM2NTRK1CCNA2
Indirubin SCHEMBL9899338 0.86 MAOA (0.64) MAOAMAOBTGM2NTRK1CCNA2
Indirubin SCHEMBL27678 0.86 MAOA (0.64) MAOAMAOBTGM2NTRK1CCNA2
Indirubin SCHEMBL6809175 0.86 MAOA (0.64) MAOAMAOBTGM2NTRK1CCNA2
Indirubin SCHEMBL31032717 0.86 MAOA (0.64) MAOAMAOBTGM2NTRK1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524937-B2 Indirubin derivatives, and uses thereof CITY OF HOPE (US) 2022-12-13 US disclosed
US-11220491-B2 Photoprotective compositions containing Malassezia-derived compounds and/or chemical analogs thereof VERSICOLOR TECHNOLOGIES, LLC (US) 2022-01-11 US disclosed
US-11202748-B2 Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof VERSICOLOR TECHNOLOGIES, LLC (US) 2021-12-21 US disclosed
US-20200276100-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF VERSICOLOR TECHNOLOGIES, LLC 2020-09-03 US disclosed
US-20200247750-A1 INDIRUBIN DERIVATIVES, AND USES THEREOF CITY OF HOPE 2020-08-06 US disclosed
US-20200060952-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF VERSICOLOR TECHNOLOGIES, LLC 2020-02-27 US disclosed
US-20190345140-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF VERSICOLOR TECHNOLOGIES, LLC 2019-11-14 US disclosed
WO-2019217387-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF EINZIGER MICHAEL (US) 2019-11-14 WO disclosed
US-20190337927-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF VERSICOLOR TECHNOLOGIES, LLC 2019-11-07 US disclosed
WO-2019200232-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF EINZIGER MICHAEL (US) 2019-10-17 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 (8 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-11524937-B2 Indirubin derivatives, and uses thereof HCCS, ABL1, MAP3K7 MAOA 2340/4885MAOB 1244/4885CES1 3870/4885
US-20190337927-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF TYR, AHR, MC1R MAOA 383/4885MAOB 234/4885CES1 3567/4885
US-11202748-B2 Photoprotective compositions containing malassezia-derived compounds and/or chemical analogs thereof TYR, AHR, MC1R MAOA 626/4885MAOB 505/4885CES1 2985/4885
US-20190345140-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF TYR, AHR, MC1R MAOA 626/4885MAOB 505/4885CES1 2985/4885
US-20200276100-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF TYR, AHR, MC1R MAOA 420/4885MAOB 560/4885CES1 2459/4885
US-20200247750-A1 INDIRUBIN DERIVATIVES, AND USES THEREOF HCCS, ABL1, MAP3K7 MAOA 2340/4885MAOB 1244/4885CES1 3870/4885
US-20200060952-A1 PHOTOPROTECTIVE COMPOSITIONS CONTAINING MALASSEZIA-DERIVED COMPOUNDS AND/OR CHEMICAL ANALOGS THEREOF TYR, AHR, MC1R MAOA 626/4885MAOB 505/4885CES1 2985/4885
US-11220491-B2 Photoprotective compositions containing Malassezia-derived compounds and/or chemical analogs thereof TYR, AHR, MC1R MAOA 626/4885MAOB 505/4885CES1 2985/4885

“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.